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Home> Encyclopedia >   /  Blood System Agents  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Other Inorganic Chemicals  /  Pharmaceuticals and Biochemicals
Acarbose structure
Acarbose structure

Acarbose

Iupac Name:(3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CAS No.:56180-94-0
Molecular Weight:645.608
Introduction: Acarbose, a complex oligosaccharide isolated from Actinoplanes, is reportedlyuseful as an adjuvant therapy in diabetes. By inhibiting alpha-glucosidase,acarbose delays carbohydrate metabolism in the gastrointestinal tract and modulateschanges in food induced blood sugar levels.
1. Names and Identifiers
1.1 Name
Acarbose
1.2 Synonyms

(2R,3R,4R,5S,6R)-5-((2R,3R,4R,5S,6R)-5- 4)-O-a-D-glucopyranosyl-(1® Acarbose (Acarbosum) Acarbose API Acarbose Hydrate AMylostatin J, Bay g 5421, alpha-GHI Bay-g 5421 D-Glucose,O-4,6-dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxyMethyl)-2-cyclohexen-1-yl]aMino]-a-D-glucopyranosyl-(1®

1.3 CAS No.
56180-94-0
1.4 CID
41774
1.5 EINECS(EC#)
260-030-7
1.6 Molecular Formula
C25H43NO18 (isomer)
1.7 Inchi
InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
1.8 InChkey
XUFXOAAUWZOOIT-UGEKTDRHSA-N
1.9 Canonical Smiles
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO
1.10 Isomers Smiles
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO
2. Properties
3.1 Density
1.74
3.2 Melting Point
165-170°C
3.3 Boiling Point
971.6 °C at 760 mmHg
3.4 Refractive Index
1.689
3.5 Flash Point
541.4 °C
3.6 Appearance
Off-White Solid
3.7 Chemical Properties
Off-White Solid
3.8 Color/Form
Amorphous powder
3.9 pKa
12.39±0.20(Predicted)
3.10 StorageTemp
Store at RT
3.11 Water Solubility
very soluble in water, soluble in methanol, practically insoluble in methylene chloride
3. Use and Manufacturing
4.1 Definition
ChEBI: A tetrasaccharide derivative consisting of a dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl C7 cyclitol moiety [called valienol (or valienamine)] linked via nitrogen to isomaltotriose.
4.2 GHS Classification
Signal: Warning
GHS Hazard Statements
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statement Codes
P264, P270, P301+P312, P330, and P501
4.3 Methods of Manufacturing
Acarbose; is an oligosaccharide which is obtained from fermentation processes of a microorganism, Actinoplanes utahensis.
4.4 Safety Profile
Low toxicity by ingestion,subcutaneous, and intravenous routes. Human systemiceffects: liver function impaired. When heated todecomposition it emits toxic vapors of NOx.
4.5 Storage
Ambient temperatures.
4.6 Usage
antipsychotic: 5HT antagonist, dopamine antagonist, H1-antihistamine, alpha adrenergic blocker
4. Safety and Handling
5.1 Safety
Low toxicity by ingestion, subcutaneous, and intravenous routes. Human systemic effects: liver function impaired. When heated to decomposition it emits toxic vapors of NOx.
5.2 Specification

Off-White Solid
usageEng:Used as an anitdiabetic
5.3 Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LZ7153000
CHEMICAL NAME :
D-Glucose, O-4,6-dideoxy-4-(((1S-(1-alpha,4-alpha,5-beta,6-alpha ))-4,5,6-trihydroxy-3- (hydroxymethyl)-2-cyclohexen-1-yl)amino)-alpha-D-gluc opyranosyl-(1-4)-O-al pha- D-glucopyranosyl-(1-4)-
CAS REGISTRY NUMBER :
56180-94-0
LAST UPDATED :
199704
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C25-H43-N-O18
MOLECULAR WEIGHT :
645.69

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
360 mg/kg/60D-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Liver - liver function tests impaired
REFERENCE :
AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 124,931,1996
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
24 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,2,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,2,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,2,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
24 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,2,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,2,1995 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
72800 mg/kg/13W-I
TOXIC EFFECTS :
Gastrointestinal - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 23,4341,1989
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. NMR Spectrum
8. Computational chemical data
  • Molecular Weight:645.608g/mol
  • Molecular Formula:C25H43NO18
  • Compound Is Canonicalized:True
  • XLogP3-AA:_8.5
  • Exact Mass:645.24801352
  • Monoisotopic Mass:645.24801352
  • Complexity:962
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:14
  • Hydrogen Bond Acceptor Count:19
  • Topological Polar Surface Area:321
  • Heavy Atom Count:44
  • Defined Atom Stereocenter Count:18
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
9. Question & Answer
  • Acarbose is a prescription medication. It comes as an oral tablet.Acarbose is available as the brand-name drug Precose. This drug may be used as part of a combination therapy. That means you may need to take it with other drugs. Uses Acarbose is used (with diet only or diet and other medications) t...
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