Basic information
- CAS
68011-66-5- Standard SMILES
NC(=O)N1c2ccccc2C=Cc2cc(O)ccc21- InChIKey
VPZIYMMSJFWLSP-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Overview
2-Hydroxycarbamazepine is a dibenzoazepine and a member of ureas. It is functionally related to a 5H-dibenzo[b,f]azepin-2-ol.
Names & identifiers
- Preferred name
- 2-Hydroxycarbamazepine
- IUPAC
- 3-hydroxybenzo[b][1]benzazepine-11-carboxamide
- English name
- 2-Hydroxy Carbamazepine
- Molecular formula
- C15H12N2O2
- Molecular weight
- 252.27
Names & synonyms
2-Hydroxycarbamazepine68011-66-51UT0PR32AJHYDROXYCARBAMAZEPINE, 2-DTXSID202182015H-Dibenz(b,f)azepine-5-carboxamide, 2-hydroxy-RefChem:87501DTXCID001406922-Hydroxy Carbamazepine2-hydroxy-5h-dibenzo[b,f]azepine-5-carboxamide3-hydroxybenzo[b][1]benzazepine-11-carboxamide2-Hydroxy-5H-dibenz[b,f]azepine-5-carboxamide
Show more names
Resorcinol Impurity 42-Hydroxy-5H-dibenz[b,f]azepine-5-carboxamid5H-Dibenz[b,f]azepine-5-carboxamide, 2-hydroxy-
CHEMBL31033962-HYDROXY-5H-DIBENZ(B,F)AZEPINE-5-CARBOXAMIDECarbamazepine Impurity 35UNII-1UT0PR32AJSCHEMBL2738798CHEBI:80596VPZIYMMSJFWLSP-UHFFFAOYSA-NBDBM50446048
Database identifiers
- CAS
68011-66-5- PubChem CID
- 129274
- DTXSID
DTXSID20218201- ChEMBL
CHEMBL3103396
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
Drugs
Pharmaceutical -> transformation product
Pharmaceuticals -> Metabolite of Carbamazepine
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 205 C · >205C (dec.)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- color
- White to Brown
- FDA UNII
- 1 UT0PR32AJ · 1UT0PR32AJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Metabolism/Metabolites2-Hydroxycarbamazepine is a known human metabolite of carbamazepine.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysCarbamazepine Metabolism Pathway
Applications
UsesA metabolite of Carbamazepine (C175840).
Suppliers7 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
ChEBI: 2-Hydroxycarbamazepine is a dibenzoazepine and a member of ureas. It is functionally related to a 5H-dibenzo[b,f]azepin-2-ol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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