Levocabastine

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Systematic / IUPAC Name: (3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid

ID: Reference5000

Other Names: (-)-Cabastine;
(3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid;
{3S-[1(cis-),3a,4b]}-1-[4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidine carboxylic acid ;
4-Piperidinecarboxylic acid, 1-[cis-4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-, (3S,4R)-

Formula: C26H29FN2O2

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Levocabastine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos
No. of Spectral Trees 1
No. of Spectra 971
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 6/4/2016 1:13:22 PM
View Mass Spec Data > >

Identificators

InChI 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
InChI Key ZCGOMHNNNFPNMX-KYTRFIICSA-N
Canonical SMILES C[C@H]1[C@@](CCN(C1)[C@H]2CC[C@@](CC2)(c3ccc(cc3)F)C#N)(C(=O)O)c4ccccc4
CAS 79516680
Splash
Other Names (-)-Cabastine;
(3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid;
{3S-[1(cis-),3a,4b]}-1-[4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidine carboxylic acid ;
4-Piperidinecarboxylic acid, 1-[cis-4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-, (3S,4R)-

In Other Databases

Wikipedia Levocabastine
ChemSpider 16736421
ChEMBL CHEMBL1615438
KEGG D08117