Chem
J-GLOBAL ID：201507021154773848   Nikkaji number：J3.361.353I

Paritaprevir

パリタプレビル
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： C40H43N7O7S
Molecular formula furigana： C40-H43-N7-O7-S
Molecular weight： 765.890
InChI： InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1
InChI key： UAUIUKWPKRJZJV-QPLHLKROSA-N
SMILES： Cc1cnc(cn1)C(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C1=O)Oc1nc2ccccc2c2ccccc12)C(=O)NS(=O)(=O)C1CC1
Systematic name  (3)：
  • (1S,4R,6S,7Z,14S,18R)-N-(シクロプロピルスルホニル)-14-[(5-メチル-2-ピラジニル)カルボニルアミノ]-2,15-ジオキソ-18-[(フェナントリジン-6-イル)オキシ]-3,16-ジアザトリシクロ[14.3.0.04,6]ノナデカ-7-エン-4-カルボアミド
  • (1S,4R,6S,7Z,14S,18R)-N-(シクロプロパンスルホニル)-14-(5-メチルピラジン-2-アミド)-2,15-ジオキソ-18-(フェナントリジン-6-イルオキシ)-3,16-ジアザトリシクロ[14.3.0.04,6]ノナデカ-7-エン-4-カルボキサミド
  • (1S,4R,6S,7Z,14S,18R)-N-(cyclopropanesulfonyl)-14-(5-methylpyrazine-2-amido)-2,15-dioxo-18-(phenanthridin-6-yloxy)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
Other name (4)：
  • (1S,4R,6S,7Z,14S,18R)-N-(Cyclopropylsulfonyl)-14-[(5-methyl-2-pyrazinyl)carbonylamino]-2,15-dioxo-18-[(phenanthridin-6-yl)oxy]-3,16-diazatricyclo[14.3.0.04,6]nonadeca-7-ene-4-carboxamide
  • ABT-450
  • パリタプレビル
  • Paritaprevir
CAS registry number： 1216941-48-8
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