Chem
J-GLOBAL ID：200907048212470956   Nikkaji number：J1.137.569C

2H5-Atorvastatin lactone

2H5-アトルバスタチンラクトン
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： C33H28[2H]5FN2O4
Molecular formula furigana： C33-H33-F-N2-O4
Molecular weight： 545.666
InChI： InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1/i4D,7D,8D,11D,12D
InChI key： OUCSEDFVYPBLLF-JZPNKPBTSA-N
SMILES： c1([2H])c([2H])c([2H])c(NC(=O)c2c(c(c3ccc(F)cc3)n(CC[C@@H]3C[C@@H](O)CC(=O)O3)c2C(C)C)c2ccccc2)c([2H])c1[2H]
Systematic name  (3)：
  • (3R,5R)-7-[2-(4-フルオロフェニル)-5-イソプロピル-3-フェニル-4-[[(2H5)フェニルアミノ]カルボニル]-1H-ピロール-1-イル]-3,5-ジヒドロキシヘプタン酸1,5-ラクトン
  • 5-(4-フルオロフェニル)-1-{2-[(2R,4R)-4-ヒドロキシ-6-オキソオキサン-2-イル]エチル}-4-フェニル-N-[(2,3,4,5,6-2H5)フェニル]-2-(プロパン-2-イル)-1H-ピロール-3-カルボキサミド
  • 5-(4-fluorophenyl)-1-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-4-phenyl-N-[(2,3,4,5,6-2H5)phenyl]-2-(propan-2-yl)-1H-pyrrole-3-carboxamide
Other name (3)：
  • (3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-[[(2H5)phenylamino]carbonyl]-1H-pyrrole-1-yl]-3,5-dihydroxyheptanoic acid 1,5-lactone
  • 2H5-アトルバスタチンラクトン
  • 2H5-Atorvastatin lactone
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