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Clopidogrel Related Compound B

CAT: 0013-GTR19259814-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19259814-01Size:25 mg
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Description
Clopidogrel-related Compound B hydrochloride is an impurity of Clopidogrel.
CAS Number
144750-52-7
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Molecular Formula
C16H17Cl2NO2S
Molecular Weight
358.28
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Methyl (2-chlorophenyl)(4,7-dihydrothieno(2,3-c)pyridin-6(5H)-yl)acetate--hydrogen chloride (1/1)

See also: Clopidogrel Related Compound B (annotation moved to).

CAS Number144750-52-7
PubChem CID46781054
IUPAC Namemethyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetate;hydrochloride
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.3
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity381
SMILES
COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)SC=C3.Cl
InChI
InChI=1S/C16H16ClNO2S.ClH/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-11-7-9-21-14(11)10-18;/h2-5,7,9,15H,6,8,10H2,1H3;1H
InChIKey
SYAKRIYLSOOCKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl (2-chlorophenyl)(4,7-dihydrothieno(2,3-c)pyridin-6(5H)-yl)acetate--hydrogen chloride (1/1)
CAS: 144750-52-7
CID: 46781054
Formula: C16H17Cl2NO2S
MW: 358.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight358.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass357.0357053
Monoisotopic Mass357.0357053
Topological Polar Surface Area57.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes