3D Mol Similar

Carbamazepine

: Iupac Name：benzo[b][1]benzazepine-11-carboxamide; CAS No.: 298-46-4; Molecular Weight：236.274; Modify Date.: 2022-11-29 08:57; Introduction:
Carbamazepine, a sodium channel blocker, is an anticonvulsant drug.Target: Sodium channelCarbamazepine inhibits the binding of [3H]batrachotoxinin A 20-α-benzoate (BTX-B) to a receptor site of voltage-sensitive sodium channel with IC50 of 131 μM, to decrease the activation of sodium channel ion flux in rat brain synaptosomes. Carbamazepine does not alter basal 125I-labeled scorpion toxin binding to synaptosomes in the absence of batrachotoxin, but when batrachotoxin (1.25 μM) added, Carb
View more+

Request For Quotation

1. Names and Identifiers

: 1.1 Name; Carbamazepine; 1.2 Synonyms; 5H-Dibenz(b,f)azepine-5-carboxamide 5H-Dibenz[b,f]azepine-5-carboxamide 5H-dibenzb,fazepine-5-carboxamide 5H-DIBENZO(B,F)AZEPINE-5-CARBOXAMIDE 5H-Dibenzo[b,f]azepine-5-carboxamide 5H-dibenzob,fazepine-5-carboxamide Biston Calepsin CARBAMAZEPIN Carbamazepine solution CarbaMazepine-13C6 Carbatrol Carbelan EINECS 206-062-7 EPITOL Finlepsin Lexin MFCD00005073 Neurotol Oxcarbazepine IMpurity A Sirtal Stazepine Tegretol Telesmin Timonil; View all

1.3 CAS No.: 298-46-4

1.4 CID: 2554

1.5 EINECS(EC#): 206-062-7

1.6 Molecular Formula: C15H12N2O (isomer)

1.7 Inchi: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)

1.8 InChIkey: FFGPTBGBLSHEPO-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N

1.10 Isomers Smiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N

2. Properties

2.1 Density: 1.266

2.1 Melting point: 189-192℃

2.1 Boiling point: 411°Cat760mmHg

2.1 Refractive index: 1.669

2.1 Flash Point: 202.4°C

2.1 Precise Quality: 236.09500

2.1 PSA: 46.33000

2.1 logP: 4.15250

2.1 Solubility: 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: soluble29mg/mL

2.2 AnalyticLaboratory Methods: Analyte: carbamazepine;; matrix: chemical identification; procedure: infrared absorption spectrophotometry with comparison to standards

2.3 Appearance: Almost white Crystals

2.4 Storage: Keep Cold.

2.5 Chemical Properties: White Solid

2.6 Color/Form: Crystals from absolute ethanol and benzene
White to off-white powder

2.7 Physical: Solid

2.8 pKa: 13.94±0.20(Predicted)

2.9 Water Solubility: Practically insoluble in water;45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: soluble 29mg/mL

2.10 Spectral Properties: UV: 1277 (Absorption Spectra in the UV and visible Regions, Academic Press, New York)
MASS: 42308 (NIST/EPA/MSDC Mass Spectral Database, 1990 version)
Intense mass spectral peaks: 165 m/z, 193 m/z, 236 m/z

2.11 Stability: To study the photostability of carbamazepine polymorphs, the pure materials on the tablet surface were evaluated without physical damage by means of Fourier-transform infrared reflection-absorption infrared spectrometry (FT-IR-RAS) and colorimetric measurement of the carbamazepine polymorphs I, II, and III, after photodegradation at 2 irradiation intensities under a near-UV fluorescent lamp. The surface of sample pellets of all crystalline forms turned gradually from white to yellow-orange upon

2.12 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Definition: ChEBI: A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.

3.2 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 132 companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 1 of 132 companies. For more detailed information, please visit ECHA C&L website

Of the 21 notification(s) provided by 131 of 132 companies with hazard statement code(s):

H302 (94.66%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (91.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H334 (87.79%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
H361 (14.5%): 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, P264, P270, P272, P280, P281, P285, P301+P312, P302+P352, P304+P341, P308+P313, P321, P330, P333+P313, P342+P311, P363, P405, and P501; View all

3.3 Methods of Manufacturing: THERMAL DEAMMONIATION OF 2-(O-AMINOSTYRYL)ANILINE HYDROCHLORIDE TO FORM 5H-DIBENZ(B,F)AZEPINE; FOLLOWED BY CONDENSATION WITH CARBAMOYL CHLORIDE; IN THE PRESENCE OF SODAMIDE;

3.4 Usage: analgesic, anticonvulsant

4. Safety and Handling

4.1 Symbol: GHS07, GHS08

4.1 Hazard Codes: Xn

4.1 Signal Word: Danger

4.1 Risk Statements: R22;R42/43

4.1 Safety Statements: S22;S24;S37

4.1 Exposure Standards and Regulations: Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).
The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl carbamazepine approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.

4.2 Packing Group: III

4.2 Octanol/Water Partition Coefficient: log Kow = 2.45

4.3 Hazard Class: 6.1(b)

4.3 Hazard Declaration: H302-H317-H334

4.3 DisposalMethods: SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

4.4 RIDADR: 20kgs

4.4 Caution Statement: P261-P280-P342 + P311

4.4 Formulations/Preparations: Oral: Capsules, extended-release: 200 mg Carbatrol (with povidone), (Shire US); 300 mg Carbatrol (with povidone), (Shire US). Suspension: 100 mg/5 mL Carbamazepine Suspension, (Actavis), Carbamazepine Suspension, (Morton Grove), Carbamazepine Suspension, (Taro); Tegretol ( with propylene glycol), (Novartis). Tablets: 200 mg Epitol (scored), (Teva), Tegretol (scored), (Novartis). Tablets, chewable: 100 mg Tegretol (scored), (Novartis). Tablets, extended-release: 100 mg Tegretol-XR (with mannitol), (Novartis); 200 mg Tegretol-XR (with mannitol), (Novartis); 400 mg Tegretol-XR (with mannitol), (Novartis).

4.5 WGK Germany: 2

4.5 RTECS: HN8225000

4.5 Safety: Hazard Codes:?Xn
Risk Statements: 42/43-22-20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.?
R22:Harmful if swallowed.?
R42/43:May cause sensitization by inhalation and skin contact.
Safety Statements: 37-24-22-36/37/39-36
S22:Do not breathe dust.?
S24:Avoid contact with skin.?
S36:Wear suitable protective clothing.?
S37:Wear suitable gloves.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?

4.6 Specification: ?Carbamazepine ,its cas register number is 298-46-4. It can be called Finlepsin and Tegretol . And it has been sold under the names Biston, Tegretol, Calepsin, Equetro, Finlepsin, Sirtal, Carbatrol, Epitol, Stazepine, Telesmin, Teril, Trimonil, Timonil, Epimaz, Amizepin (Poland), Hermolepsin (Sweden), Carbama/Carbamaze (New Zealand), and Degranol (South Africa).

4.7 Toxicity: LD50 orally in mice, rats: 3750, 4025 mg/kg (Stenger, Roulet)

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin sensitization, Category 1

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302 Harmful if swallowed H317 May cause an allergic skin reaction H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. P284 [In case of inadequate ventilation] wear respiratory protection.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. 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. P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : Predict

1H NMR : 400 MHz in CDCl3

Mass spectrum (electron ionization)

UV/Visible spectrum

7. Synthesis Route

298-46-4Total: 26 Synthesis Route

88-72-2 81 Suppliers

298-46-4 490 Suppliers

Literatures:
Revue Roumaine de Chimie, , vol. 54, # 11-12 p. 935 - 942
Yield: null

494-19-9 146 Suppliers

298-46-4 490 Suppliers

Literatures:
Pharmaceutical Chemistry Journal, , vol. 21, # 6 p. 443 - 448 Khimiko-Farmatsevticheskii Zhurnal, , vol. 21, # 6 p. 711 - 716
Yield: null

108-86-1 199 Suppliers

298-46-4 490 Suppliers

Literatures:
Organic and Biomolecular Chemistry, , vol. 11, # 48 p. 8426 - 8434
Yield: null

View all

8. Precursor and Product

precursor:

32621-46-8

33948-19-5

33948-20-8

59690-97-0

590-28-3

59690-99-2

143667-53-2

26689-55-4

143667-54-3

16968-19-7

579-92-0

143667-55-4

108-86-1

16096-33-6

494-19-9

21737-58-6

34124-14-6

256-96-2

120-72-9

917-61-3

88-72-2

49579-63-7

1220040-57-2

1220040-58-3

52618-28-7

View all

product :

885-23-4

3564-73-6

256-96-2

29331-92-8

42787-75-7

28721-07-5

36507-30-9

35079-97-1

52618-28-7

68011-71-2

9. Other Information

9.0 Usage: Carbamazepine is used as cytochrome P450 3A4 inducing anti-epileptic drug and ligand for the GABA-A receptor benzodiazepine modulatory site. Carbamazepine is typically used for the treatment of seizure disorders and neuropathic pain. It is associated with other medications and used to treat schizophrenia as well as a second line agent in bipolar disorders.

10. Computational chemical data

Molecular Weight: 236.274g/mol
Molecular Formula: C₁₅H₁₂N₂O
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 236.094963011
Monoisotopic Mass: 236.094963011
Complexity: 326
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 46.3
Heavy Atom Count: 18
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAABAAAAAABQAAAHgAQAAAADAiBGAAxwINAAACIAiRCUACCAAAhAgAIiAAAZIiIIGLAkZGEIAhghALIyCcQgAAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

11. Question & Answer

What are the potential adverse drug reactions and risk factors associated with carbamazepine use? Jun 07 2023
General Description Carbamazepine, a widely used antiepileptic drug, provides clinicians with numerous options for managing epilepsy and trigeminal neuralgia symptoms. However, it is important to be a..
What is Carbamazepine and how does it work? Feb 19 2023
Carbamazepine, also known as CBZ and sold under the brand name Tegretol, is a medication used to treat epilepsy and neuropathic pain. It is effective in treating epilepsy, unlike other drugs such as p..
What are the uses of Carbamazepine? Aug 16 2022
Prior to using any medication, it is important to have a basic understanding of its properties and effects. Carbamazepine is a commonly used medication, especially for patients prone to depressive moo..
Can Carbamazepine be Used to Treat Epilepsy? Apr 13 2022
Epilepsy, although not a particularly serious condition, is a chronic disease that requires attention to preventive measures in daily life. It is also important to understand how to actively manage th..

12. Recommended Suppliers

Global481SuppliersView all >>

Shanghai Xinlijie New Materials Co.,Ltd. Diamond member

1YR

Products:Pharmaceutical Intermediate , Apis , Food Additives , Herbal Extracts , Fine Chemicals , ...
Tel:00-86-13023277276
Email:hanna@xljxcl.com

High Purity Anticonvulsant Drug CAS No 298-46-4 Carbamazepine

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kg
Time: 2023/10/03

Inquire

Hebei Chengcai Biotechnology Co., LTD Diamond member

1YR

Products:We are engaged in the development, marketing and sales of apis, intermediates, natural products (extracts), fine chemicals, food additives, agricultural chemicals and other products.
Tel:0086-0319-19131200228
Email:17610795226@chengcaibio.com

Manufactory Supply Carbamazepine CAS 298-46-4

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kg
Time: 2023/10/03

Inquire

Wuhan Fortuna Chemical Co., Ltd. Diamond member

10YRS

Products:API,fine chemical&its intermediates,biological chemistry
Tel:0086-27-59207850
Email:info@fortunachem.com

Carbamazepine CAS 298-46-4

Purity:99%Packing: 200kg/bag FOB
Price: 10 USD/kg
Time: 2023/09/28

Inquire

Hebei Crovell Biotech Co. Ltd Diamond member

3YRS

Products:Cosmetic Raw Materials,solvents,etc.
Tel:86-311-66562153
Email:breeduan@crovellbio.com

carbamazepine Cas 298-46-4

Purity:99%Packing: 200kg/bag FOB
Price: 10 USD/kilogram
Time: 2023/09/28

Inquire

Jiangsu Kaihuida New Material Technology Co., Ltd Diamond member

1YR

Products:Pharmaceutical intermediates,Food additive,Organic intermediate,Cosmetic materials,Chemical Raw materials,Plant Growth Regulator and other products.
Tel:86-132-36053571
Email:ella@jskaihuida.com

Carbamazepine Powder CAS 298-46-4 for Anti-Epileptic