Clopidogrel Impurity A

CAT: 0926-IC158706-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-IC158706-02Size:2 mg

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CAS Number

144750-42-5

Smiles

C1CN (CC2=C1SC=C2) [C@@H] (C3=CC=CC=C3Cl) C (=O) O.Cl

Molecular Formula

C15H15Cl2NO2S

Molecular Weight

344.26 g/mol

Controlled

Chemical Information

(alphaS)-alpha-(2-Chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetic acid hydrochloride (1:1)

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CAS Number	144750-42-5
PubChem CID	45358950
IUPAC Name	(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride
Molecular Formula	C15H15Cl2NO2S
Molecular Weight	344.3
Topological Polar Surface Area	68.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	368

SMILES

C1CN(CC2=C1SC=C2)[C@@H](C3=CC=CC=C3Cl)C(=O)O.Cl

InChI

InChI=1S/C15H14ClNO2S.ClH/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13;/h1-4,6,8,14H,5,7,9H2,(H,18,19);1H/t14-;/m0./s1

InChIKey

FOKSIOUPGDBSLC-UQKRIMTDSA-N

Chemical Structure

2D Structure

CAS: 144750-42-5

CID: 45358950

Formula: C15H15Cl2NO2S

MW: 344.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	344.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	343.0200553
Monoisotopic Mass	343.0200553
Topological Polar Surface Area	68.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	368
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
WDC60515-01	S-Clopidogrel N-methyl impurity
IC183809-01	Clopidogrel EP Impurity B hydrochloride
FM61519-01	Clopidogrel
XVB35075-01	Clopidogrel thiolactone
FC11669-01	Clopidogrel bisulfate
FFA20990-01	(±) -Clopidogrel hydrochloride
UPC98108-01	(±) -Clopidogrel- (phenyl-13C6)
FC20510-01	Clopidogrel carboxylic acid
FC20513-01	S- (+) -Clopidogrel hydrogen sulfate
QDA05555-01	Rac-Clopidogrel carboxylic acid

Catalog	Name
OR1042689-01	Clopidogrel IMpurity 2 (Clopidogrel IMiniuM IMpurity)
AR-C03285-01	Clopidogrel Impurity E (Clopidogrel Sulfonated Impurity)
AR-C03279-01	Clopidogrel Impurity 2 Bromide (Clopidogrel Iminium Impurity)
AR-C08128-01	Clopidogrel Impurity 2 Bromide (rac-Clopidogrel Iminium Impurity)
HY-Z4468-01	Clopidogrel impurity 3
RM-C160738-01	Clopidogrel Impurity 12
RM-C160701-01	Clopidogrel EP Impurity A
RM-C162818-01	Clopidogrel Impurity 87
RM-C160775-01	Clopidogrel Impurity 47
RM-C162829-01	Clopidogrel Impurity 99