Cabastine
[CAS# 79449-98-2]

Identification

• Name: Cabastine
• Synonyms: (3R,4S)-1-[4-Cyano-4-(4-Fluorophenyl)Cyclohexyl]-3-Methyl-4-Phenyl-Piperidine-4-Carboxylic Acid; (3R,4S)-1-[4-Cyano-4-(4-Fluorophenyl)Cyclohexyl]-3-Methyl-4-Phenyl-4-Piperidinecarboxylic Acid; (3R,4S)-1-[4-Cyano-4-(4-Fluorophenyl)Cyclohexyl]-3-Methyl-4-Phenyl-Isonipecotic Acid
• Molecular Formula: C₂₆H₂₉FN₂O₂
• Molecular Weight: 420.53
• CAS Registry Number: 79449-98-2
• SMILES: [C@@]1(C(=O)O)(CCN(C[C@@H]1C)C2CCC(CC2)(C3=CC=C(C=C3)F)C#N)C4=CC=CC=C4
• 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-/m0/s1
• InChIKey: ZCGOMHNNNFPNMX-TUXHGLMRSA-N