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(±) -2-Oxo clopidogrel

CAT: 0804-HY-118025-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-118025-01Size:500 µg
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Description
(±) -2-Oxo clopidogrel is a metabolite of the antiplatelet agent Clopidogrel.
CAS Number
109904-27-0
Product Name Alternative
(±) -SR-121683
UNSPSC
12352005
Hazard Statement
H314, H411
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/racemic-2-oxo-clopidogrel.html
Purity
99.67
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
ClC1=CC=CC=C1C(N2CCC(C(C2)=C3)SC3=O)C(OC)=O
Molecular Formula
C16H16ClNO3S
Molecular Weight
337.82
Precautions
H314, H411
References & Citations
[1]A Scalable Synthesis of (±) -2-Oxoclopidogrel
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate
CAS Number109904-27-0
PubChem CID13748464
IUPAC Namemethyl 2-(2-chlorophenyl)-2-(2-oxo-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5-yl)acetate
Molecular FormulaC16H16ClNO3S
Molecular Weight337.8
XLogP2.6
Topological Polar Surface Area71.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity496
SMILES
COC(=O)C(C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3)C2
InChI
InChI=1S/C16H16ClNO3S/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13/h2-5,8,13,15H,6-7,9H2,1H3
InChIKey
JBSAZVIMJUOBNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate
CAS: 109904-27-0
CID: 13748464
Formula: C16H16ClNO3S
MW: 337.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.8
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass337.0539422
Monoisotopic Mass337.0539422
Topological Polar Surface Area71.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity496
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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