Levophta; R 50547
(3R,4S)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid
Also Known As: levocabastine|Cabastine|Cabastinum|Cabastine [INN]|Levophta; R 50547|CADMIUMCYCLOHEXANEBUTYRATE|NCGC00016939-01|CAS-79547-78-7|R-50554|SR-05000001526-1|(3R)-1-[4alpha-Cyano-4beta-(4-fluorophenyl)cyclohexan-1alpha-yl]-3alpha-methyl-4alpha-phenyl-4beta-piperidinecarboxylic acid|(3R,4S)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid|(3R,4S)-3-METHYL-4-PHENYL-1-[(1S,4S)-4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXYL]PIPERIDINE-4-CARBOXYLIC ACID|4-Piperidinecarboxylicacid, 1-[cis-4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-,(3R,4S)-rel-
| Molecular Formula | C26H29FN2O2 |
|---|---|
| Molecular Weight | 420.2213 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.2213 |
| Monoisotopic Mass | 420.2213 |
| Heavy Atoms | 31 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 79449-98-2 |
|---|---|
| SMILES | C[C@H]1CN(CC[C@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F |
| InChIKey | ZCGOMHNNNFPNMX-TUXHGLMRSA-N |
Product Overview
Levophta; R 50547 (CAS 79449-98-2), with molecular formula C26H29FN2O2 and molecular weight 420.2213 g/mol. IUPAC: (3R,4S)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid.