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Substance Name: Fumaropimaric acid
RN: 125-66-6
UNII: 057F0F79CY
InChIKey: PXYRCOIAFZBLBN-HQJFNQTASA-N

Molecular Formula

  • C24-H34-O6

Molecular Weight

  • 418.5266
 
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Names and Synonyms

Name of Substance

  • Fumaropimaric acid

Synonyms

  • AI3-27669
  • EINECS 204-748-0
  • UNII-057F0F79CY

Systematic Names

  • (4alpha,8alpha,12alpha,13R,14S)-16-Isopropyl-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid
  • 17,19-Dinoratis-15-ene-4,13,14-tricarboxylic acid, 16-(1-methylethyl)-, (4alpha,8alpha,12alpha,13R,14S)-

Registry Numbers

CAS Registry Number

  • 125-66-6

FDA UNII

  • 057F0F79CY

Other Registry Numbers

  • 19742-24-6
  • 2097107-48-5
  • 21654-14-8
  • 29283-39-4

System Generated Number

  • 0000125666

Structure Descriptors

InChI

1S/C24H34O6/c1-12(2)14-11-24-9-6-15-22(3,7-5-8-23(15,4)21(29)30)16(24)10-13(14)17(19(25)26)18(24)20(27)28/h11-13,15-18H,5-10H2,1-4H3,(H,25,26)(H,27,28)(H,29,30)/t13-,15+,16+,17+,18+,22-,23+,24-/m0/s1

InChIKey

PXYRCOIAFZBLBN-HQJFNQTASA-N

Smiles

CC(C)C1=C[C@@]23CC[C@@H]4[C@@]([C@H]2C[C@@H]1[C@H]([C@@H]3C(=O)O)C(=O)O)(CCC[C@@]4(C)C(=O)O)C