Levocabastine hydrochlorideProduct ingredient for Levocabastine
- Name
- Levocabastine hydrochloride
- Drug Entry
- Levocabastine
Levocabastine is a selective second-generation H1-receptor antagonist used for allergic conjunctivitis. Levocabastine was discovered at Janssen Pharmaceutica in 1979.
- Accession Number
- DBSALT001442
- Structure
- Synonyms
- Levocabastine HCl
- External IDs
- R 50,547 / R-50547
- UNII
- 124XMA6YEI
- CAS Number
- 79547-78-7
- Weight
- Average: 456.99
Monoisotopic: 456.1979841 - Chemical Formula
- C26H30ClFN2O2
- InChI Key
- OICFWWJHIMKBCD-VALQNVSPSA-N
- InChI
- InChI=1S/C26H29FN2O2.ClH/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);1H/t19-,23-,25-,26-;/m1./s1
- IUPAC Name
- (3S,4R)-3-methyl-4-phenyl-1-[(1s,4s)-4-cyano-4-(4-fluorophenyl)cyclohexyl]piperidine-4-carboxylic acid hydrochloride
- SMILES
- Cl.C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)[C@H]1CC[C@](CC1)(C#N)C1=CC=C(F)C=C1
- External Links
- ChemSpider
- 10482030
- ChEBI
- 31777
- ChEMBL
- CHEMBL1237102
- Wikipedia
- Levocabastine
- Predicted Properties
Property Value Source Water Solubility 0.00347 mg/mL ALOGPS logP 4.56 ALOGPS logP 2.5 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 3.71 Chemaxon pKa (Strongest Basic) 10.32 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.33 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 118.48 m3·mol-1 Chemaxon Polarizability 45.58 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon