Vicriviroc
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기본 정보
- CAS
306296-47-9- 표준 SMILES
COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C- InChIKey
CNPVJJQCETWNEU-CYFREDJKSA-N- 분자식
- C28H38F3N5O2
- 평균 분자량
- 533.639 g/mol
- 단동위원소 질량
- 533.29776012
이름 및 식별자
- 우선 이름
- Vicriviroc
- IUPAC
- (4,6-Dimethylpyrimidin-5-yl){4-[(3S)-4-{(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl}-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl}methanone
- 영어명
- (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluor omethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]me thanone
- 분자식
- C28H38F3N5O2
- 분자량
- 533.63
이름 및 동의어
vicrivirocSch 417690Sch-D compoundUnii-tl515dw4qsVicriviroc(free base)Vicriviroc Malate(free base)1-((4,6-Dimethyl-5-pyrimidinyl)carbonyl)-4-(4-(2-methoxy-4-(trifluoromethyl)phenyl)ethyl-3-methyl-1-piperazinyl)-4-methylpiperidine(4,6-Dimethyl-5-pyrimidinyl)[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluor omethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]me thanone
데이터베이스 식별자
- CAS
306296-47-9、394730-30-4- PubChem CID
- 3009355
- DTXSID
DTXSID40897719- ChEMBL
CHEMBL82301- ChEBI
CHEBI:94843- UNII
- TL515DW4QS
- Nikkaji
- J1.905.357A
물성
물리화학적 성질
- 끓는 점
- 608.1 · 608.1±55.0 °C(Predicted)
- 밀도
- 1.196 · 1.196
- 산도 계수 (pKa)
- 7.61 · 7.61±0.70(Predicted)
관련 반응
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