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Clopidogrel Related Compound C

CAT: 0931-T126236-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T126236-01Size:10 mg
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CAS Number
120202-71-3
Target
Others
Related Pathways
Others
Purity
0.9784
Bioactivity
(R) -Clopidogrel bisulfate (Clopidogrel Related Compound C) is an isomer of Clopidogrel. Clopidogrel is a P2Y12 receptor antagonist that reduces platelet aggregation, used to prevent thrombotic events in coronary artery disease, peripheral artery disease, and cerebrovascular disease.
Smiles
S(=O)(=O)(O)O.[C@@H](C(OC)=O)(N1CC2=C(CC1)SC=C2)C3=C(Cl)C=CC=C3
Molecular Formula
C16H18ClNO6S2
Molecular Weight
419.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R)-Clopidogrel bisulfate
CAS Number120202-71-3
PubChem CID10002188
IUPAC Namemethyl (2R)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid
Molecular FormulaC16H18ClNO6S2
Molecular Weight419.9
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity463
SMILES
COC(=O)[C@@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O
InChI
InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m1./s1
InChIKey
FDEODCTUSIWGLK-XFULWGLBSA-N
Chemical Structure
2D Structure
2D structure of (R)-Clopidogrel bisulfate
CAS: 120202-71-3
CID: 10002188
Formula: C16H18ClNO6S2
MW: 419.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass419.0264073
Monoisotopic Mass419.0264073
Topological Polar Surface Area141 Ų
Heavy Atom Count26
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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