Clopidogrel Impurity 4

CAT: 1596-AR-C03281-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C03281-02Size:25 Units

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CAS Number

801319-16-4

Synonyms

5- (2-chlorobenzyl) -6,7-dihydrothieno[3,2-c]pyridin-5-ium bromide

Molecular Formula

C14H13ClNS. Br

Molecular Weight

262.78 79.90

API Name

Clopidogrel

Chemical Information

Ticlopidine-M5

Thienodihydropyridinium is a thienopyridine.

CAS Number	801319-16-4
PubChem CID	71314787
IUPAC Name	5-[(2-chlorophenyl)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5-ium
Molecular Formula	C14H13ClNS+
Molecular Weight	262.8
XLogP	3.2
Topological Polar Surface Area	31.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	1
Complexity	305

SMILES

C1C[N+](=CC2=C1SC=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C14H13ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8,10H,5,7,9H2/q+1

InChIKey

RLTCLQFOWWSHJX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 801319-16-4

CID: 71314787

Formula: C14H13ClNS+

MW: 262.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.8
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	262.0457233
Monoisotopic Mass	262.0457233
Topological Polar Surface Area	31.3 Å²
Heavy Atom Count	17
Formal Charge	1
Complexity	305
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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)
AR-C05440-01	Clopidogrel Nitroso Impurity
AR-C03280-01	Clopidogrel Impurity 3
AR-C03304-01	Clopidogrel Impurity 19
AR-C03300-01	Clopidogrel Impurity 13
AR-C03294-01	Clopidogrel Impurity 10
AR-C08117-01	Clopidogrel Impurity 48
AR-C08120-01	Clopidogrel Impurity 51

Catalog	Name
OR1042689-01	Clopidogrel IMpurity 2 (Clopidogrel IMiniuM IMpurity)
IC158706-01	Clopidogrel Impurity A
HY-Z4468-01	Clopidogrel impurity 3
RM-C160738-01	Clopidogrel Impurity 12
RM-C160701-01	Clopidogrel EP Impurity A
RM-C160752-01	Clopidogrel Impurity 26
RM-C160760-01	Clopidogrel Impurity 34
RM-C160741-01	Clopidogrel Impurity 15
RM-C160762-01	Clopidogrel Impurity 36
RM-C162818-01	Clopidogrel Impurity 87