Nitrendipine

Iupac Name：5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Molecular Weight：360.366

Modify Date.: 2022-10-28 02:44

Introduction: Nitrendipine is a vasodilating, dihydropyridine calcium antagonist. Its prolongedtherapeutic effect in comparison to nifedipine makes it useful in the once to twicedaily treatment of hypertension. View more+

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1. Names and Identifiers

1.1 Name: Nitrendipine
1.2 Synonyms: 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid ethyl methyl ester 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylicacidethy 2，6-Dimethyl-4-(3-nitrophenyl)-1，4-dihydro-3，5-pyridinedicarboxylic acid methyl ethyl ester 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, ethyl methyl ester 3-Ethyl-5-methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate baye5009 bayotensin baypress Bylotensin Deiten EINECS 254-513-1 Ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(meta-nitrophenyl)-3,5-pyridinedicarboxylate Ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate ethylmethyl1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxy MFCD00082255 UNII:9B627AW319

1.3 CAS No.: 39562-70-4

1.4 CID: 4507

1.5 EINECS(EC#): 254-513-1

1.6 Molecular Formula: C18H20N2O6 (isomer)

1.7 Inchi: InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3

1.8 InChkey: PVHUJELLJLJGLN-UHFFFAOYSA-N

1.9 Canonical Smiles: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C

1.10 Isomers Smiles: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C

2. Properties

2.1 Density: 1.247

2.1 Melting point: 156 - 160 C

2.1 Boiling point: 489

2.1 Refractive index: 1.579

2.1 Flash Point: 249.5 °C

2.1 Precise Quality: 360.13200

2.1 PSA: 110.45000

2.1 logP: 3.41770

2.1 Solubility: methanol: 15?mg/mL

2.2 Λmax: 352(MeOH)nm

2.3 Appearance: yellow crystalline powder

2.4 Storage: Ambient temperatures.

2.5 Chemical Properties: Crystalline Solid

2.6 Color/Form: Yellow powder

2.7 Physical: Solid

2.8 pKa: 2.79±0.70(Predicted)

2.9 Water Solubility: methanol: 15?mg/mL

2.10 Stability: Stable at normal temperatures and pressures.

2.11 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Definition: ChEBI: A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in te treatment of hypertension.

3.2 General Description: Nitrendipine, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinecarboxylic acid methyl ethylester (Baypress), is a second-generation dihydropyridinechannel blocker of the nifedipine type. It is more selectivefor vascular smooth muscle than for myocardial tissue andserves as an effective vasodilator. The drug is used in thetreatment of mild-to-moderate essential hypertension.

3.3 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 2 of 45 companies. For more detailed information, please visit ECHA C&L website

Of the 4 notification(s) provided by 43 of 45 companies with hazard statement code(s):

H312 (60.47%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (60.47%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H361 (37.21%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P201, P202, P261, P271, P280, P281, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P363, P405, and P501

3.4 Usage: Antihypertensive;Calcium channel blocker

4. Safety and Handling

4.1 Symbol: GHS07

4.1 Hazard Codes: Xn

4.1 Signal Word: Warning

4.1 Risk Statements: R20/21/22

4.1 Safety Statements: S36

4.1 Hazard Declaration: H312 + H332

4.1 RIDADR: NONH for all modes of transport

4.1 Caution Statement: P261-P280

4.1 WGK Germany: 1

4.1 RTECS: US5653000

4.1 Specification

The nitrendipine , with the CAS register number 39562-70-4, has other name as nitrendipine ; 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5 pyridinedicarboxylicacidethy ; baye5009 ; bayotensin ; baypress ; ethylmethyl1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxy ; lmethylester ; nidrel .

The physical properties of this chemcial are as followings: (1)ACD/LogP:? 3.50 ; (2)ACD/LogD (pH 5.5):? 3.5? ; (3)ACD/LogD (pH 7.4):? 3.5? ; (4)ACD/BCF (pH 5.5):? 267.27? ; (5)ACD/BCF (pH 7.4):? 267.77? ; (6)ACD/KOC (pH 5.5):? 1899.24? ; (7)ACD/KOC (pH 7.4):? 1902.83? ; (8)#H bond acceptors:? 8? ; (9)#H bond donors:? 1? ; (10)#Freely Rotating Bonds:? 7? ; (11)Polar Surface Area:? 101.66 ; (12)Index of Refraction:? 1.553? ; (13)Molar Refractivity:? 92.53 cm^3? ; (14)Molar Volume:? 288.7 cm³? ; (15)Polarizability:? 36.68× 10^-24 cm^3? ; (16)Surface Tension:? 45.3 dyne/cm? ; (17)Density:? 1.247 g/cm³? ; (18)Flash Point:? 249.5 °C? ; (19)Enthalpy of Vaporization:? 75.51 kJ/mol? ; (20)Boiling Point:? 488.9 °C at 760 mmHg? ; (21)Vapour Pressure:? 1.04E-09 mmHg at 25°C.

This is a kind of yellow crystalline powder with no odour and no taste. When meets with light, it will to bad and it is soluble in acetone and chloroform but slightly soluble in methyl alcohol or ethanol and insoluble in water. As to its product categories, there are various, including Pharmaceutical;Intermediates & Fine Chemicals;Pharmaceuticals;Calcium channel;Ion Channels.

Being a kind of harmful chemical, it may cause damage to health and it is also harmful if by inhalation, in contact with skin or if swallowed. So while dealing with this chemical, you should be cautious. Wear suitable protective clothing and if you need more safety information, you could go to WGK Germany? 1. As for its raw materials, there are including Ethyl acetoacetate, Methyl acetoacetate, 3-Nitrobenzaldehyde, Methyl 3-aminocrotonate.

As for its usage, it is the second generation CCB - calcium-channel blockers, to be as the ideal drugs to cure hypertension, as it has the function of depressurization and vasoconstriction. Besides, it is used for various types of hypertension, such as the primary and secondary light, medium pressure, and it is also be used to coronary heart disease, and congestive heart failure.

Additionally, you could convert the following data information into the molecular structure:
SMILES:O=C(OCC)\C1=C(\N/C(=C(/C(=O)OC)C1c2cccc([N+]([O-])=O)c2)C)C
InChI:InChI=1/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
InChIKey:PVHUJELLJLJGLN-UHFFFAOYAU

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	> 2500ug/kg (2.5mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	"Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984Vol. -, Pg. 25, 1984.
dog	LD50	oral	> 100mg/kg (100mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING	"Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984Vol. -, Pg. 25, 1984.
mouse	LD50	intraperitoneal	303mg/kg (303mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BLOOD: CHANGES IN SPLEEN	Oyo Yakuri. Pharmacometrics. Vol. 36, Pg. 121, 1988.
mouse	LD50	intravenous	34500ug/kg (34.5mg/kg)	?	Farmaco, Edizione Scientifica. Vol. 42, Pg. 697, 1987. ?
mouse	LD50	oral	2540mg/kg (2540mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: REGIDITY LUNGS, THORAX, OR RESPIRATION: CYANOSIS	"Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984Vol. -, Pg. 25, 1984.
mouse	LD50	subcutaneous	7613mg/kg (7613mg/kg)	GASTROINTESTINAL: OTHER CHANGES BLOOD: CHANGES IN SPLEEN SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Oyo Yakuri. Pharmacometrics. Vol. 36, Pg. 121, 1988.
rabbit	LD50	intravenous	2500ug/kg (2.5mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	"Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984Vol. -, Pg. 25, 1984.
rabbit	LD50	oral	2500mg/kg (2500mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: REGIDITY	"Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984Vol. -, Pg. 25, 1984.

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4.2 Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :: US5653000

CHEMICAL NAME :: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, ethyl methyl ester

CAS REGISTRY NUMBER :: 39562-70-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 17

MOLECULAR FORMULA :: C18-H20-N2-O6

MOLECULAR WEIGHT :: 360.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 15370 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes Blood - changes in spleen

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 36,121,1988

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 205 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes Blood - changes in spleen

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 36,121,1988

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5166 mg/kg

TOXIC EFFECTS :: Gastrointestinal - other changes Blood - changes in spleen Skin and Appendages - hair

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 36,121,1988

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 12600 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: 52EDA6 "Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984 Volume(issue)/page/year: -,25,1984

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2540 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - rigidity (including catalepsy) Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: 52EDA6 "Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984 Volume(issue)/page/year: -,25,1984

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 303 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes Blood - changes in spleen

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 36,121,1988

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 7613 mg/kg

TOXIC EFFECTS :: Gastrointestinal - other changes Blood - changes in spleen Skin and Appendages - hair

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 36,121,1988

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 34500 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 42,697,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >100 mg/kg

TOXIC EFFECTS :: Gastrointestinal - nausea or vomiting

REFERENCE :: 52EDA6 "Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984 Volume(issue)/page/year: -,25,1984

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >2500 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: 52EDA6 "Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984 Volume(issue)/page/year: -,25,1984

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2500 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - rigidity (including catalepsy) Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: 52EDA6 "Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984 Volume(issue)/page/year: -,25,1984

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2500 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: 52EDA6 "Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984 Volume(issue)/page/year: -,25,1984 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 107 gm/kg/2Y-C

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: 52EDA6 "Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984 Volume(issue)/page/year: -,25,1984 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1720 mg/kg

SEX/DURATION :: female 17-22 day(s) after conception lactating female 21 day(s) post-birth

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Newborn - behavioral Reproductive - Effects on Newborn - physical

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 36,133,1988

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 11000 mg/kg

SEX/DURATION :: female 7-17 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 36,145,1988

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1100 mg/kg

SEX/DURATION :: female 7-17 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 36,145,1988

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 330 mg/kg

SEX/DURATION :: female 7-17 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - live birth index (measured after birth)

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 36,145,1988

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H312 Harmful in contact with skin H332 Harmful if inhaled
Precautionary statement(s)
Prevention	P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

39562-70-4Total: 14 Synthesis Route

99-61-6 328 Suppliers

39562-70-4 224 Suppliers

Literatures:
Zhou, Kai; Wang, Xiao-Meng; Zhao, Yi-Zhi; Cao, Yong-Xiao; Fu, Qiang; Zhang, San-Qi Medicinal Chemistry Research, 2011 , vol. 20, # 8 p. 1325 - 1330
Yield: null

105-45-3 237 Suppliers

39562-70-4 224 Suppliers

Literatures:
Zhou, Kai; Wang, Xiao-Meng; Zhao, Yi-Zhi; Cao, Yong-Xiao; Fu, Qiang; Zhang, San-Qi Medicinal Chemistry Research, 2011 , vol. 20, # 8 p. 1325 - 1330
Yield: null

55985-32-5 51 Suppliers

39562-70-4 224 Suppliers

Literatures:
Kinugawa, Masahiko; Ogasa, Takehiro Synthetic Communications, 1997 , vol. 27, # 19 p. 3321 - 3331
Yield: null

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7. Precursor and Product

precursor:

39562-16-8

39562-17-9

141-97-9

99-61-6

131767-68-5

626-34-6

119128-13-1

105-45-3

41867-20-3

21731-17-9

81777-30-2

55985-32-5

14205-39-1

70076-42-5

View all

product :

89288-25-5

138135-46-3

74936-72-4

89267-41-4

80890-07-9

64603-72-1

138135-45-2

80873-62-7

64603-74-3

8. Other Information

8.0 Usage: Nitrendipine modulates NMDA receptor channel function in mammalian neurons. Nitrendipine has been shown to inhibit neutrophil adhesion to vascular endothelium. It is used in the treatment of primary hypertension to decrease blood pressure. Nitrendipine is used alone or with an angiotensin-converting enzyme inhibitor, to treat hypertension, chronic stable angina pectoris, and Prinzmetal's variant angina.

8.1 Description: Nitrendipine is a vasodilating, dihydropyridine calcium antagonist. Its prolonged therapeutic effect in comparison to nifedipine makes it useful in the once to twice daily treatment of hypertension.

8.2 Chemical Properties: Crystalline Solid

8.3 Originator: Bayer (W. Germany)

8.4 Uses: Antihypertensive;Calcium channel blocker

8.5 Uses: Nitrendipine is a dihydropyridine calcium channel blocker. Nitrendipine is used in the treatment of primary (essential) hypertension to decrease blood pressure. Antihypertensive.

8.6 Definition: ChEBI: A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in t e treatment of hypertension.

8.7 Brand name: Baypress (Bayer);BAYOTENSIN.

8.8 General Description: Nitrendipine, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinecarboxylic acid methyl ethylester (Baypress), is a second-generation dihydropyridinechannel blocker of the nifedipine type. It is more selectivefor vascular smooth muscle than for myocardial tissue andserves as an effective vasodilator. The drug is used in thetreatment of mild-to-moderate essential hypertension.

8.9 Biological Activity: L-type calcium channel blocker.

8.10 Biochem/physiol Actions: Ca2+ channel blocker; anti-hypertensive.

9. Computational chemical data

Molecular Weight: 360.366g/mol
Molecular Formula: C₁₈H₂₀N₂O₆
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 360.13213636
Monoisotopic Mass: 360.13213636
Complexity: 661
Rotatable Bond Count: 6
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 7
Topological Polar Surface Area: 110
Heavy Atom Count: 26
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAUAAAADQihmAIyyILQRACJAiTSSwCCAAAgAgAoiAEAZMoIJDKAsZGCMABkkACI6UeY7uiOgAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

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