Chem
J-GLOBAL ID：200907012265222330   Nikkaji number：J2.198.465E

Maraviroc

マラビロク
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： C29H41F2N5O
Molecular formula furigana： C29-H41-F2-N5-O
Molecular weight： 513.678
InChI： InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1
InChI key： GSNHKUDZZFZSJB-HLMSNRGBSA-N
SMILES： CC(C)c1nnc(C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
Systematic name  (3)：
  • (1α,5α)-3β-(3-イソプロピル-5-メチル-4H-1,2,4-トリアゾール-4-イル)-8-[(S)-3-(4,4-ジフルオロシクロヘキシルカルボニルアミノ)-3-フェニルプロピル]-8-アザビシクロ[3.2.1]オクタン
  • 4,4-ジフルオロ-N-[(1S)-3-[(1R,5S)-3-[3-メチル-5-(プロパン-2-イル)-4H-1,2,4-トリアゾール-4-イル]-8-アザビシクロ[3.2.1]オクタン-8-イル]-1-フェニルプロピル]シクロヘキサン-1-カルボキサミド
  • 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
Other name (9)：
  • (1α,5α)-3β-(3-Isopropyl-5-methyl-4H-1,2,4-triazole-4-yl)-8-[(S)-3-(4,4-difluorocyclohexylcarbonylamino)-3-phenylpropyl]-8-azabicyclo[3.2.1]octane
  • UK-427857
  • マラビロック
  • Maraviroc
  • マラビロク
Show all
Application (2)：
antiviral drug ,  anti-AIDSagent
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