Chem
J-GLOBAL ID：200907086732917464   Nikkaji number：J2.241.521B

Vicraviroc

ビクラビロック
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C28H38F3N5O2
Molecular formula furigana： C28-H38-F3-N5-O2
Molecular weight： 533.640
InChI： InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24?/m0/s1
InChI key： CNPVJJQCETWNEU-XGLRFROISA-N
SMILES： COCC(N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
Systematic name  (3)：
  • 4-メチル-4-[(3S)-3-メチル-4-[α-(メトキシメチル)-4-(トリフルオロメチル)ベンジル]-1-ピペラジニル]ピペリジノ(4,6-ジメチル-5-ピリミジニル)ケトン
  • 5-{4-[(3S)-4-{2-メトキシ-1-[4-(トリフルオロメチル)フェニル]エチル}-3-メチルピペラジン-1-イル]-4-メチルピペリジン-1-カルボニル}-4,6-ジメチルピリミジン
  • 5-{4-[(3S)-4-{2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl}-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carbonyl}-4,6-dimethylpyrimidine
Other name (3)：
  • 4-Methyl-4-[(3S)-3-methyl-4-[α-(methoxymethyl)-4-(trifluoromethyl)benzyl]-1-piperazinyl]piperidino(4,6-dimethyl-5-pyrimidinyl) ketone
  • Vicraviroc
  • ビクラビロック
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