CP-866087 MesylateProduct ingredient for CP-866087
- Name
- CP-866087 Mesylate
- Drug Entry
- CP-866087
CP-866,087 has been used in trials studying the treatment of Obesity, Alcoholism, and Sexual Dysfunction, Physiological.
- Accession Number
- DBSALT002154
- Structure
Structure for CP-866087 Mesylate (DBSALT002154)
- Synonyms
- Not Available
- UNII
- C11T0WZN2R
- CAS Number
- 519052-03-0
- Weight
- Average: 522.68
Monoisotopic: 522.185829171 - Chemical Formula
- C25H34N2O6S2
- InChI Key
- JGFCIQDZOHYVLW-WNYOANAGSA-N
- InChI
- InChI=1S/C24H30N2O3S.CH4O3S/c1-3-24(19-9-6-10-20(11-19)25-30(2,28)29)21-14-26(15-22(21)24)16-23(27)12-17-7-4-5-8-18(17)13-23;1-5(2,3)4/h4-11,21-22,25,27H,3,12-16H2,1-2H3;1H3,(H,2,3,4)/t21-,22+,24+;
- IUPAC Name
- N-{3-[(1R,5S,6R)-6-ethyl-3-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]phenyl}methanesulfonamide; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CC[C@]1([C@H]2CN(CC3(O)CC4=CC=CC=C4C3)C[C@@H]12)C1=CC=CC(NS(C)(=O)=O)=C1
- External Links
- ChemSpider
- 32699250
- Predicted Properties
Property Value Source Water Solubility 0.00299 mg/mL ALOGPS logP 3.1 ALOGPS logP 1.63 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 9.73 Chemaxon pKa (Strongest Basic) 10.4 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 69.64 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 119 m3·mol-1 Chemaxon Polarizability 47.99 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon