Chem
J-GLOBAL ID：200907055291385809   Nikkaji number：J493.199H

Dihydrokainic acid

ジヒドロカイニン酸
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： C10H17NO4
Molecular formula furigana： C10-H17-N-O4
Molecular weight： 215.249
InChI： InChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
InChI key： JQPDCKOQOOQUSC-OOZYFLPDSA-N
SMILES： CC(C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
Systematic name  (5)：
  • (2S)-2α-カルボキシ-4β-(1-メチルエチル)ピロリジン-3β-酢酸
  • (2S)-2α-カルボキシ-4β-イソプロピル-3β-ピロリジン酢酸
  • (2S)-4β-イソプロピル-2α-カルボキシ-3β-ピロリジン酢酸
  • (2S,3S,4R)-3-(カルボキシメチル)-4-(プロパン-2-イル)ピロリジン-2-カルボン酸
  • (2S,3S,4R)-3-(carboxymethyl)-4-(propan-2-yl)pyrrolidine-2-carboxylic acid
Other name (7)：
  • ジヒドロカイニン酸
  • Dihydrokainic acid
  • (2S)-2α-Carboxy-4β-(1-methylethyl)pyrrolidine-3β-acetic acid
  • (2S)-2α-Carboxy-4β-isopropyl-3β-pyrrolidineacetic acid
  • Dihydrokainate
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CAS registry number： 52497-36-6
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