Vestipitant mesylateProduct ingredient for Vestipitant
- Name
- Vestipitant mesylate
- Drug Entry
- Vestipitant
Vestipitant has been investigated for the treatment of Tinnitus.
- Accession Number
- DBSALT002111
- Structure
Structure for Vestipitant mesylate (DBSALT002111)
- Synonyms
- Not Available
- UNII
- OWR424W90Q
- CAS Number
- 334476-64-1
- Weight
- Average: 587.55
Monoisotopic: 587.168874709 - Chemical Formula
- C24H28F7N3O4S
- InChI Key
- BHECXGHXWKHZOY-DXPOFMJKSA-N
- InChI
- InChI=1S/C23H24F7N3O.CH4O3S/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30;1-5(2,3)4/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3;1H3,(H,2,3,4)/t14-,20-;/m1./s1
- IUPAC Name
- (2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.C[C@@H](N(C)C(=O)N1CCNC[C@@H]1C1=CC=C(F)C=C1C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
- External Links
- ChemSpider
- 28529149
- ChEMBL
- CHEMBL2104992
- Predicted Properties
Property Value Source Water Solubility 0.00434 mg/mL ALOGPS logP 4.03 ALOGPS logP 5.33 Chemaxon logS -5 ALOGPS pKa (Strongest Basic) 7.45 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 35.58 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 114 m3·mol-1 Chemaxon Polarizability 42.76 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon