Chem
J-GLOBAL ID：200907095274291606   Nikkaji number：J245.924H

Niguldipine

ニグルジピン
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： C36H39N2[N+]O5[O-]
Molecular formula furigana： C36-H39-N3-O6
Molecular weight： 609.723
InChI： InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1
InChI key： SVJMLYUFVDMUHP-XIFFEERXSA-N
SMILES： COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C
Systematic name  (3)：
  • (S)-1,4-ジヒドロ-2,6-ジメチル-4β-(3-ニトロフェニル)-3,5-ピリジンジカルボン酸3-[3-(4,4-ジフェニルピペリジン-1-イル)プロピル]5-メチル
  • 3-[3-(4,4-ジフェニルピペリジン-1-イル)プロピル] 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-[3-(4,4-diphenylpiperidin-1-yl)propyl] 5-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Other name (7)：
  • ニグルジピン
  • (-)-ニグルジピン
  • Niguldipine
  • (-)-Niguldipine
  • (S)-1,4-Dihydro-2,6-dimethyl-4β-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-[3-(4,4-diphenylpiperidin-1-yl)propyl]5-methyl ester
Show all
CAS registry number： 113165-32-5
Application (1)：
calcium antagonist
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