Clopidogrel bisulfate

CAT: 0063-49141551-1gSize: 1 gDry Ice: NoHazardous: No

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CAT#:0063-49141551-1gSize:1 g

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CAS Number

135046-48-9

Molecular Formula

C16H16ClNO2S · H2SO4

Molecular Weight

419.9

Formulation

C16H16ClNO2S · H2SO4

Chemical Information

(+-)-Clopidogrel bisulfate

CAS Number	135046-48-9
PubChem CID	16757820
IUPAC Name	methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid
Molecular Formula	C16H18ClNO6S2
Molecular Weight	419.9
Topological Polar Surface Area	141
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	463

SMILES

COC(=O)C(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)

InChIKey

FDEODCTUSIWGLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 135046-48-9

CID: 16757820

Formula: C16H18ClNO6S2

MW: 419.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	419.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	419.0264073
Monoisotopic Mass	419.0264073
Topological Polar Surface Area	141 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	463
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
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