General
Preferred name
Carbamazepine 10,11-epoxide
Synonyms
CARBAMAZEPINE-10,11-EPOXIDE ()
CARBAMAZEPINE EPOXIDE ()
P&D ID
PD150976
CAS
36507-30-9
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Carbamazepine 10,11-epoxide is an orally active metabolite of Carbamazepine (HY-B0246). Carbamazepine has anticonvulsant effect. Carbamazepine can be used for the research of seizures[1].
PRICE 39
DESCRIPTION Carbamazepine 10,11-epoxide is an active metabolite of the anticonvulsant carbamazepine. It is formed by the cytochrome P450 (CYP) isoforms CYP3A4 and CYP2C8 in microsomes from HepG2 cells expressing CYP3A4 or CYP2C8, respectively. Carbamazepine 10,11-epoxide exhibits anticonvulsant activity against maximal electroshock-induced seizures in mice and has been detected in wastewater effluent [1][2][3]. (TargetMol Bioactive Compound Library)
Compound Sets
4
Cayman Chemical Bioactives
33908
MedChem Express Bioactive Compound Library
HY-W013378
ReFrame library
TargetMol Bioactive Compound Library
T37149
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
252.09
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
2
cLogP
3.03
TPSA
58.86
Fraction CSP3
0.13
Chiral centers
2.0
Largest ring
7.0
QED
0.73
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data