기본 정보
- CAS
579475-18-6- 표준 SMILES
Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
XWNBGDJPEXZSQM-VZOBGQTKSA-N- 분자식
- C31H35F7N4O2
- 평균 분자량
- 628.6 g/mol
- 단동위원소 질량
- 628.26482351
개요
Orvepitant is an organic molecular entity.
이름 및 식별자
- 우선 이름
- Orvepitant
- IUPAC
- (2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
- 현지명
- 환영받는
- 영어명
- orvepitant
- 분자식
- C31H35F7N4O2
- 분자량
- 628.62
이름 및 동의어
Orvepitant579475-18-6GW823296XIIU6V0W3JDGw-823296GW-823296XDTXSID409735221-PIPERIDINECARBOXAMIDE, N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-4-((8AS)-HEXAHYDRO-6-OXOPYRROLO(1,2-A)PYRAZIN-2(1H)-YL)-N-METHYL-, (2R,4S)-orvepitantumRefChem:856949DTXCID701400973(2R,4S)-4-((8aS)-6-oxo-octahydropyrrolo(1,2-a)pyrazin-2-yl)-N-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
이름 더 보기
환영받는Orvepitatorvepitan(2R,4S)-N-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methyl-41-Piperidinecarboxamide, N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-4-[(8aS)-hexahydro-6-oxopyrrolo[1,2-a]pyrazin-2(1H)-yl]-N-methyl-, (2R,4S)-
(2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamideGW823296(2R,4S)-N-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methyl-4-((S)-6-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)piperidine-1-c(2R,4S)-N-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methyl-4-((S)-6-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)piperidine-1-carboxamideOrvepitant [INN]Orvepitant [USAN:INN]UNII-IIU6V0W3JDOrvepitant (USAN/INN)
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 47.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,020
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 627.5 · 627.5±55.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.89 · 8.89±0.20(Predicted)
화학 및 산업
상·하류 제품 정보
하류 제품
공급사5 곳
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
成都新弘材料科技有限公司010-88886666-01 13112345678 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
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