Sarpogrelate HydrochlorideProduct ingredient for Sarpogrelate

Show full entry for Sarpogrelate
Name
Sarpogrelate Hydrochloride
Drug Entry
Sarpogrelate

Sarpogrelate has been investigated for the treatment of Diabetes Mellitus, Diabetic Nephropathy, Coronary Artery Disease, and Renal Insufficiency, Chronic.

See full entry for Sarpogrelate
Accession Number
DBSALT002147
Structure
Similar Structures
Synonyms
Not Available
UNII
FQN8N8QP1B
CAS Number
135159-51-2
Weight
Average: 465.97
Monoisotopic: 465.1918155
Chemical Formula
C24H32ClNO6
InChI Key
POQBIDFFYCYHOB-UHFFFAOYSA-N
InChI
InChI=1S/C24H31NO6.ClH/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3;/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27);1H
IUPAC Name
4-{[1-(dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}propan-2-yl]oxy}-4-oxobutanoic acid hydrochloride
SMILES
Cl.COC1=CC=CC(CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(O)=O)=C1
ChemSpider
392036
ChEBI
32122
ChEMBL
CHEMBL541829
Predicted Properties
PropertyValueSource
Water Solubility0.0109 mg/mLALOGPS
logP3.57ALOGPS
logP1.12Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)3.78Chemaxon
pKa (Strongest Basic)8.15Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area85.3 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity117.35 m3·mol-1Chemaxon
Polarizability46.81 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon