Chem
J-GLOBAL ID：200907048522442855   Nikkaji number：J417.698G

(S)-(+)-Azelnidipine

(S)-(+)-アゼルニジピン
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： C33H34N3[N+]O5[O-]
Molecular formula furigana： C33-H34-N4-O6
Molecular weight： 582.657
InChI： InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3/t28-/m0/s1
InChI key： ZKFQEACEUNWPMT-NDEPHWFRSA-N
SMILES： CC(C)OC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1)N
Systematic name  (3)：
  • (4S)-2-アミノ-1,4-ジヒドロ-6-メチル-4-(3-ニトロフェニル)-3,5-ピリジンジカルボン酸3-[1-(ジフェニルメチル)アゼチジン-3-イル]5-(1-メチルエチル)
  • 3-[1-(ジフェニルメチル)アゼチジン-3-イル] 5-プロパン-2-イル (4S)-2-アミノ-6-メチル-4-(3-ニトロフェニル)-1,4-ジヒドロピリジン-3,5-ジカルボキシラート
  • 3-[1-(diphenylmethyl)azetidin-3-yl] 5-propan-2-yl (4S)-2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Other name (3)：
  • (4S)-2-Amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-[1-(diphenylmethyl)azetidin-3-yl]5-(1-methylethyl) ester
  • (S)-(+)-アゼルニジピン
  • (S)-(+)-Azelnidipine
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