Chem
J-GLOBAL ID：200907033216244910   Nikkaji number：J583.678F

(S)-Nicardipine

(S)-ニカルジピン
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： C26H29N2[N+]O5[O-]
Molecular formula furigana： C26-H29-N3-O6
Molecular weight： 479.533
InChI： InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3/t24-/m0/s1
InChI key： ZBBHBTPTTSWHBA-DEOSSOPVSA-N
SMILES： COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(C)Cc1ccccc1)C
Systematic name  (3)：
  • (4S)-1,4-ジヒドロ-2,6-ジメチル-4-(3-ニトロフェニル)-3,5-ピリジンジカルボン酸3-[2-[メチル(フェニルメチル)アミノ]エチル]5-メチル
  • 3-{2-[ベンジル(メチル)アミノ]エチル} 5-メチル (4S)-2,6-ジメチル-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-{2-[benzyl(methyl)amino]ethyl} 5-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Other name (3)：
  • (4S)-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-[2-[methyl(phenylmethyl)amino]ethyl]5-methyl ester
  • (S)-ニカルジピン
  • (S)-Nicardipine
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