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Substance Name: Cocaic acid
RN: 490-20-0
UNII: 821BB4R21V
InChIKey: QWFRRFLKWRIKSZ-BIAGXBKMSA-N

Molecular Weight

  • 296.3204
 
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Names and Synonyms

Name of Substance

  • Cocaic acid

Synonyms

  • 1,3-Cyclobutanedicarboxylic acid, 2,4-diphenyl-, (1alpha,2alpha,3beta,4beta)-
  • alpha-Truxillic acid
  • Cocaic acid
  • Gratissimic acid
  • Truxillic acid alpha-isomer
  • Truxillic acid alpha-isomer [MI]
  • Truxillic acid, alpha-isomer
  • UNII-821BB4R21V

Registry Numbers

CAS Registry Number

  • 490-20-0

FDA UNII

  • 821BB4R21V

System Generated Number

  • 0000490200

Structure Descriptors

InChI

1S/C18H16O4/c19-17(20)15-13(11-7-3-1-4-8-11)16(18(21)22)14(15)12-9-5-2-6-10-12/h1-10,13-16H,(H,19,20)(H,21,22)/t13-,14-,15-,16-

InChIKey

QWFRRFLKWRIKSZ-BIAGXBKMSA-N

Smiles

c1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@H]2C(=O)O)c3ccccc3)C(=O)O