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
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
ChemSpider
32699250
Predicted Properties
PropertyValueSource
Water Solubility0.00299 mg/mLALOGPS
logP3.1ALOGPS
logP1.63Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)9.73Chemaxon
pKa (Strongest Basic)10.4Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area69.64 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity119 m3·mol-1Chemaxon
Polarizability47.99 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon