10,11-Dihydroxycarbamazepine

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Basic information

CAS: 35079-97-1
Standard SMILES: NC(=O)N1c2ccccc2C(O)C(O)c2ccccc21
InChIKey: PRGQOPPDPVELEG-UHFFFAOYSA-N
Molecular formula: C15H14N2O3
Average molar mass: 270.28 g/mol
Monoisotopic mass: 270.10044231

Overview

Dihydroxycarbazepine is a dibenzoazepine.

Names & identifiers

Preferred name: 10,11-Dihydroxycarbamazepine
IUPAC: 5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
English name: 10,11-dihydro-10,11-dihydroxy-5H-dibenzazepine-5-carboxamide
Molecular formula: C15H14N2O3
Molecular weight: 270.28

Names & synonyms

35079-97-110,11-DihydroxycarbamazepineDTXSID308915045,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide5,6-dihydroxy-5,6-dihydrobenzo(b)(1)benzazepine-11-carboxamideRefChem:907871DTXCID501030605DihydroxycarbazepineCbz-diolCBZDCarbazepine 10,11-diol10,11-Dihydro-10,11-dihydroxycarbamazepine

Show more names

CBZ-10,11-diol10,11-Dihydro-10,11-dihydroxy-5H-dibenz[b,f]azepine-5-carboxamide5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10,11-dihydroxy-

10,11-Dihydro-10,11-dihydroxy-5H-dibenzazepine-5-carboxamide10,11-Dihydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide10,11-Dihydro-10,11-Dihydroxy CarbamazepineCarbamazepine-10,11-diolCgp 10,00010,11-Dihydroxy-10,11-dihydrocarbamazepineCarbamazepine-10,11-dihydrodiolPRGQOPPDPVELEG-UHFFFAOYSA-N

Database identifiers

CAS: 35079-97-1
PubChem CID: 83852
DTXSID: DTXSID30891504
ChEBI: CHEBI:4592
Nikkaji: J372.992C

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 86.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 20
Formal charge: 0
Complexity: 348

Experimental & physicochemical properties

DrugsPharmaceuticals -> Metabolite of Carbamazepine

Physicochemical properties

Melting point: 208 · 208-210C
Boiling point: 441.4 · 441.4±55.0 °C(Predicted)
Density: 1.443 · 1.443±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer, Under Inert Atmosphere
solubility: DMSO: soluble; Methanol: soluble
form: A solid
pka: 12.94 · 12.94±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P321-P330-P362+P364-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P321-P330-P362+P364-P501

Chemistry & industry

Applications

UsesA major metabolite of Carbamazepine.

Additional notes

DefinitionChEBI: Dihydroxycarbazepine is a dibenzoazepine.

Related reactions

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New reaction record

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Compound notes

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