Metabolite Active Metabolite of Clopidogrel

Name
Active Metabolite of Clopidogrel
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 355.836
Monoisotopic: 355.064506466
Chemical Formula
C16H18ClNO4S
InChI Key
CXPJTQJWJQRBOF-HNNXBMFYSA-N
InChI
InChI=1S/C16H18ClNO4S/c1-22-16(21)15(11-4-2-3-5-12(11)17)18-7-6-13(23)10(9-18)8-14(19)20/h2-5,15,23H,6-9H2,1H3,(H,19,20)/t15-/m0/s1
IUPAC Name
2-{1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydropyridin-3-yl}acetic acid
SMILES
COC(=O)[C@@H](N1CCC(S)=C(CC(O)=O)C1)C1=CC=CC=C1Cl
Reactions
External Links
ChemSpider
59695374
Predicted Properties
PropertyValueSource
Water Solubility0.0478 mg/mLALOGPS
logP3.1ALOGPS
logP0.24ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)3.99ChemAxon
pKa (Strongest Basic)5.83ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.84 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity91.79 m3·mol-1ChemAxon
Polarizability35.45 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon