Navitoclax Dihydrochloride
기본 정보
- CAS
1093851-28-5- 표준 SMILES
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1.Cl.Cl- InChIKey
WDVGRPCSLPVWKC-VROLVAQFSA-N- 분자식
- C47H57Cl3F3N5O6S3
- 평균 분자량
- 1,047.5 g/mol
- 단동위원소 질량
- 1,045.248866
이름 및 식별자
- 우선 이름
- Navitoclax Dihydrochloride
- IUPAC
- 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide;dihydrochloride
- 영어명
- Navitoclax dihydrochloride
- 분자식
- C47H55ClF3N5O6S3.
- 분자량
- 1011.07
이름 및 동의어
NAVITOCLAX DIHYDROCHLORIDENavitoclax HClNavitoclax hydrochloride1093851-28-5Navitoclax dihydrochloride [USAN]UNII-W8FZ00AY2SW8FZ00AY2SA-855071.3DTXSID90148920Navitoclax dihydrochloride (USAN)NAVITOCLAX DIHYDROCHLORIDE [WHO-DD]RefChem:164885
이름 더 보기
DTXCID00714114-(4-((2-(4-CHLOROPHENYL)-5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)METHYL)PIPERAZIN-1-YL)-N-((4-(((1R)-3-(MORPHOLIN-4-YL)-1-((PHENYLSULFANYL)METHYL)PROPYL)AMINO)-3-((TRIFLUOROMETHYL)SULFONYL)PHENYL)SULFONYL)BENZAMIDE DIHYDROCHLORIDE4-(4-((2-(4-CHLOROPHENYL)-5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)METHYL)PIPERAZIN-1-YL)-N-((4-(((2R)-4-(MORPHOLIN-4-YL)-1-(PHENYLSULFANYL)BUTAN-2-YL)AMINO)-3-((TRIFLUOROMETHYL)SULFONYL)PHENYL)SULFONYL)BENZAMIDE DIHYDROCHLORIDEBENZAMIDE, 4-(4-((2-(4-CHLOROPHENYL)-5,5-DIMETHYL-1-CYCLOHEXEN-1-YL)METHYL)-1-PIPERAZINYL)-N-((4-(((1R)-3-(4-MORPHOLINYL)-1-((PHENYLTHIO)METHYL)PROPYL)AMINO)-3-((TRIFLUOROMETHYL)SULFONYL)PHENYL)SULFONYL)-, HYDROCHLORIDE (1:2)4-(4-((2-(4-Chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((4- (((2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl)amino)-3- ((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide dihydrochlorideBenzamide, 4-(4-((2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl)methyl)-1- piperazinyl)-N-((4-(((1R)-3-(4-morpholinyl)-1-((phenylthio)methyl)propyl)amino)-3- ((trifluoromethyl)sulfonyl)phenyl)sulfonyl)-, hydrochloride (1:2)Navitoclax (dihydrochloride)orb1738024
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- 극성 표면적
- 170 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 67
- 형식 전하
- 0
- 복잡도
- 1,800
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