Brecanavir
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기본 정보
- CAS
313682-08-5- 표준 SMILES
Cc1nc(COc2ccc(C[C@H](NC(=O)O[C@H]3CO[C@H]4OCC[C@H]43)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)cc2)cs1- InChIKey
JORVRJNILJXMMG-OLNQLETPSA-N- 분자식
- C33H41N3O10S2
- 평균 분자량
- 703.836 g/mol
- 단동위원소 질량
- 703.22333651
이름 및 식별자
- 우선 이름
- Brecanavir
- IUPAC
- (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-[(2H-1,3-benzodioxole-5-sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate
- 영어명
- [(1R,5S,6R)-2,8-dioxabicyclo[3.3.0]oct-6-yl] N-[(2S,3R)-4-(benzo[1,3]dioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate
- 분자식
- C33H41N3O10S2
- 분자량
- 703.82
이름 및 동의어
GW-0385GW-640385GW-640385XbrecanavirCHEMBL206031UNII-E367I8C7FI(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-3-hydroxy-4-(N-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)-1-(4-((2-methylthiazol-4-yl)methoxy)phenyl)butan-2-yl)carbamate[(1R,5S,6R)-2,8-dioxabicyclo[3.3.0]oct-6-yl] N-[(2S,3R)-4-(benzo[1,3]dioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamateCarbamic acid, N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
데이터베이스 식별자
- CAS
313682-08-5- PubChem CID
- 5743186
- DTXSID
DTXSID10185296- ChEMBL
CHEMBL206031- UNII
- E367I8C7FI
- Nikkaji
- J2.116.964A
물성
물리화학적 성질
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.22 · 11.22±0.46(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
응용 분야
용도Treatment of HIV infection in combination with other antiretroviral agents.
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