기본 정보
- CAS
126883-99-6- 표준 SMILES
COc1ccc(CCN(CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC- InChIKey
PMBMAYXZKGXGNE-OOIBDUHFSA-N- 분자식
- C32H44N2O10
- 평균 분자량
- 616.7 g/mol
- 단동위원소 질량
- 616.2995956
이름 및 식별자
- 우선 이름
- Nor Verapamil N-beta-D-Glucuronide
- IUPAC
- (2S,3S,4S,5R,6R)-6-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
- 현지명
- 노르베라파밀NbD-글루쿠로나이드
- 영어명
- Norverapamil N-b-D-Glucuronide
- 분자식
- C32H44N2O10
- 분자량
- 616.7
이름 및 동의어
126883-99-6Nor Verapamil N-?-D-Glucuronide(2S,3S,4S,5R,6R)-6-[[4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acidbeta-D-Glucopyranuronic acid, 1-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl][2-(3,4-dimethoxyphenyl)ethyl]amino]-1-deoxy-Nor Verapamil N-beta-D-GlucuronideNorverapamil glucuronideKZ23L8U26JNorverapamil N-beta-D-Glucuronide1-[[4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl][2-(3,4-dimethoxyphenyl)ethyl]amino]-1-deoxy-beta-D-glucopyranuronic acid6-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid노르베라파밀NbD-글루쿠로나이드Zeatin Impurity 23
이름 더 보기
Norverapamil N--D-GlucuronideNorverapamil N-b-D-GlucuronideNor Verapamil N-β-D-GlucuronideVerapamil N-Desmethyl N-β-D-Glucuronide1-[[4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl][2-(3,4-dimethoxyphenyl)ethyl]amino]-1-deoxy--D-glucopyranuronic Acid1-[[4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl][2-(3,4-dimethoxyphenyl)ethyl]amino]-1-deoxy-b-D-glucopyranuronic Aciβ-D-Glucopyranuronic acid, 1-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl][2-(3,4-dimethoxyphenyl)ethyl]amino]-1-deoxy-
데이터베이스 식별자
- CAS
126883-99-6- PubChem CID
- 71751261
- UNII
- KZ23L8U26J
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 171 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 945
물리화학적 성질
- 끓는 점
- 812.1 · 812.1±65.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2 · 2+-.0.70(Predicted)
화학 및 산업
공급사9 곳
凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
BOC Sciences16314854226 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [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]
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