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Substance Name: Cabastine [INN]
RN: 79449-98-2
UNII: COU3RRH769
InChIKey: ZCGOMHNNNFPNMX-KYTRFIICSA-N

Molecular Formula

  • C26-H29-F-N2-O2

Molecular Weight

  • 420.5251
 
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Names and Synonyms

Name of Substance

  • Cabastine [INN]

Synonyms

  • (+-)-trans-1-(cis-4-Cyano-4-(p-fluorophenyl)cyclohexyl)-3-methyl-4-phenylisonipecotic acid
  • Cabastine
  • Cabastinum
  • UNII-COU3RRH769

Systematic Name

  • (+-)-trans-1-(cis-4-Cyano-4-(p-fluorophenyl)cyclohexyl)-3-methyl-4-phenylisonipecotic acid.

Registry Numbers

CAS Registry Number

  • 79449-98-2

FDA UNII

  • COU3RRH769

System Generated Number

  • 0079449982

Structure Descriptors

InChI

1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23-,25-,26-/m1/s1

InChIKey

ZCGOMHNNNFPNMX-KYTRFIICSA-N

Smiles

C[C@@H]1CN(CC[C@]1(C(=O)O)c2ccccc2)[C@@H]3CC[C@@](CC3)(C#N)c4ccc(F)cc4