U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29FN2O2
Molecular Weight 420.5191
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3S,4R)-1-(CIS-4-CYANO-4-(3-FLUOROPHENYL)CYCLOHEXYL)-3-METHYL-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID

SMILES

C[C@@H]1CN(CC[C@]1(C(O)=O)C2=CC=CC=C2)[C@H]3CC[C@](CC3)(C#N)C4=CC(F)=CC=C4

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
(3S,4R)-1-(CIS-4-CYANO-4-(3-FLUOROPHENYL)CYCLOHEXYL)-3-METHYL-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID
Systematic Name English
LEVOCABASTINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
Y84QHU83UG
Created by admin on Sat Dec 16 15:08:59 GMT 2023 , Edited by admin on Sat Dec 16 15:08:59 GMT 2023
PRIMARY