(10R,11R)-10,11-Dihydro-10,11-dihydroxy-5H-dibenz(b,f)azepine-5-carboxamide
기본 정보
- CAS
176486-10-5- 표준 SMILES
NC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c2ccccc21- InChIKey
PRGQOPPDPVELEG-ZIAGYGMSSA-N- 분자식
- C15H14N2O3
- 평균 분자량
- 270.28 g/mol
- 단동위원소 질량
- 270.10044231
개요
10,11-trans-dihydroxy-10,11-dihydrocarbamazepine is a dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide substituted by hydroxy groups at positions 10 and 11. It is a metabolite of the drug carbamazepine. It has a role as a drug metabolite and a marine xenobiotic metabolite. It is a diol, a dibenzoazepine and a member of ureas.
이름 및 식별자
- 우선 이름
- (10R,11R)-10,11-Dihydro-10,11-dihydroxy-5H-dibenz(b,f)azepine-5-carboxamide
- IUPAC
- (5R,6R)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
이름 및 동의어
DTXSID201143148176486-10-5(10R,11R)-10,11-Dihydro-10,11-dihydroxy-5H-dibenz(b,f)azepine-5-carboxamide(10R,11R)-10,11-Dihydro-10,11-dihydroxy-5H-dibenz[b,f]azepine-5-carboxamideRefChem:1049318DTXCID401574753(5R,6R)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide(10R,11R)-10,11-dihydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamidetrans-10,11-Dihydro-10,11-dihydroxy-5H-dibenz(b,f)azepine-5-carboxamideCHEMBL3526499CHEBI:83532CHEBI:83816
이름 더 보기
AC-37488DB-234081G62071(10R,11R)-dihydroxy-10,11-dihydrocarbamazepinetrans-10,11-Dihydro-10,11-dihydroxycarbamazepinerel-(10S,11S)-10,11-dihydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamideTRANS-10,11-DIHYDROXY-10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPINE-5-CARBOXAMIDE
데이터베이스 식별자
- CAS
176486-10-5- PubChem CID
- 13726064
- DTXSID
DTXSID201143148- ChEMBL
CHEMBL3526499
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 86.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 348
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Oxcarbazepine
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