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Becondogrel

CAT: 0013-GTR19258742-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258742-01Size:25 mg
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Description
Becondogrel (2-Oxoclopidogrel) is a metabolite of Clopidogrel. It irreversibly inhibits the P2Y12 receptor, thereby preventing platelet aggregation and thrombosis.
CAS Number
1416696-44-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
[C@H] (C (OC) =O) (N1CC=2[C@] (CC1) (SC (=O) C2) [H]) C3=C (Cl) C=CC=C3
Molecular Formula
C16H16ClNO3S
Molecular Weight
337.821
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4S)-2-Oxoclopidogrel

See also: 2-Oxo-clopidogrel (annotation moved to).

CAS Number1416696-44-0
PubChem CID29986184
IUPAC Namemethyl (2S)-2-[(7aS)-2-oxo-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5-yl]-2-(2-chlorophenyl)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@H](C1=CC=CC=C1Cl)N2CC[C@H]3C(=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/t13-,15-/m0/s1
InChIKey
JBSAZVIMJUOBNB-ZFWWWQNUSA-N
Chemical Structure
2D Structure
2D structure of (4S)-2-Oxoclopidogrel
CAS: 1416696-44-0
CID: 29986184
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 Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-172417Becondogrel

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