Chem
J-GLOBAL ID：200907007129644693   Nikkaji number：J1.137.565K

2H5-o-Hydroxyatorvastatin

2H5-o-ヒドロキシアトルバスタチン
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： C33H30[2H]5FN2O6
Molecular formula furigana： C33-H35-F-N2-O6
Molecular weight： 579.680
InChI： InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1/i3D,4D,5D,8D,9D
InChI key： CZBPKFICAYVHHM-AABVQTEKSA-N
SMILES： c1([2H])c([2H])c([2H])c(c([2H])c1[2H])c1c(C(=O)Nc2ccccc2O)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c1c1ccc(F)cc1
Systematic name  (3)：
  • (3R,5R)-3,5-ジヒドロキシ-7-[2-(1-メチルエチル)-3-[(2-ヒドロキシフェニルアミノ)カルボニル]-4-[(2H5)フェニル]-5-(4-フルオロフェニル)-1H-ピロール-1-イル]ヘプタン酸
  • (3R,5R)-7-[2-(4-フルオロフェニル)-4-[(2-ヒドロキシフェニル)カルバモイル]-3-[(2,3,4,5,6-2H5)フェニル]-5-(プロパン-2-イル)-1H-ピロール-1-イル]-3,5-ジヒドロキシヘプタン酸
  • (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-[(2,3,4,5,6-2H5)phenyl]-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Other name (3)：
  • (3R,5R)-3,5-Dihydroxy-7-[2-(1-methylethyl)-3-[(2-hydroxyphenylamino)carbonyl]-4-[(2H5)phenyl]-5-(4-fluorophenyl)-1H-pyrrole-1-yl]heptanoic acid
  • 2H5-o-ヒドロキシアトルバスタチン
  • 2H5-o-Hydroxyatorvastatin
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