Clopidogrel Impurity 49

CAT: 1596-AR-C08135-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C08135-02Size:25 Units

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CAS Number

115929-81-2

Synonyms

1,3,5-tris (2- (thiophen-2-yl) ethyl) -1,3,5-triazinane

Molecular Formula

C21H27N3S3

Molecular Weight

417.65

API Name

Clopidogrel

Chemical Information

1,3,5-Tris(2-(thiophen-2-yl)ethyl)-1,3,5-triazinane

CAS Number	115929-81-2
PubChem CID	14211124
IUPAC Name	1,3,5-tris(2-thiophen-2-ylethyl)-1,3,5-triazinane
Molecular Formula	C21H27N3S3
Molecular Weight	417.7
XLogP	5.4
Topological Polar Surface Area	94.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	27
Formal Charge	0
Complexity	365

SMILES

C1N(CN(CN1CCC2=CC=CS2)CCC3=CC=CS3)CCC4=CC=CS4

InChI

InChI=1S/C21H27N3S3/c1-4-19(25-13-1)7-10-22-16-23(11-8-20-5-2-14-26-20)18-24(17-22)12-9-21-6-3-15-27-21/h1-6,13-15H,7-12,16-18H2

InChIKey

AJBJMBPNYBIMSY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 115929-81-2

CID: 14211124

Formula: C21H27N3S3

MW: 417.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	417.7
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	417.13671139
Monoisotopic Mass	417.13671139
Topological Polar Surface Area	94.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	365
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