Pridinol mesilateProduct ingredient for Pridinol

Name
Pridinol mesilate
Drug Entry
Pridinol
Accession Number
DBSALT003109
Structure
Synonyms
Pridinol mesylate / Pridinol methanesulfonate / Pridinol monomesylate
External IDs
229-953-2
UNII
AQ4K0AJT6G
CAS Number
6856-31-1
Weight
Average: 391.53
Monoisotopic: 391.181729592
Chemical Formula
C21H29NO4S
InChI Key
VNJHUUNVDMYCRH-UHFFFAOYSA-N
InChI
InChI=1S/C20H25NO.CH4O3S/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;1-5(2,3)4/h1-2,4-7,10-13,22H,3,8-9,14-17H2;1H3,(H,2,3,4)
IUPAC Name
1,1-diphenyl-3-(piperidin-1-yl)propan-1-ol; methanesulfonic acid
SMILES
CS(O)(=O)=O.OC(CCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
ChemSpider
145082
ChEMBL
CHEMBL1528011
Predicted Properties
PropertyValueSource
Water Solubility0.0192 mg/mLALOGPS
logP3.69ALOGPS
logP3.7Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)13.36Chemaxon
pKa (Strongest Basic)9.34Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area23.47 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity92.27 m3·mol-1Chemaxon
Polarizability34.82 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon