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Ticlopidine

CAT: 0127-BUP11415-06Size: 1 gDry Ice: NoHazardous: No
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CAS Number
55142-85-3
Synonyms
PCR 5332, Ticlid
Purity
=98%
Smiles
Clc1ccccc1CN1CCc2sccc2C1

Chemical Information

Ticlopidine

Ticlopidine is a thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group. It has a role as a fibrin modulating drug, a hematologic agent, an anticoagulant, a platelet aggregation inhibitor and a P2Y12 receptor antagonist. It is a thienopyridine and a member of monochlorobenzenes.

CAS Number55142-85-3
PubChem CID5472
IUPAC Name5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
Molecular FormulaC14H14ClNS
Molecular Weight263.8
XLogP3.6
Topological Polar Surface Area31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity261
SMILES
C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl
InChI
InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
InChIKey
PHWBOXQYWZNQIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ticlopidine
CAS: 55142-85-3
CID: 5472
Formula: C14H14ClNS
MW: 263.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.8
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass263.0535483
Monoisotopic Mass263.0535483
Topological Polar Surface Area31.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity261
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T4190-01Ticlopidine
AR-T02224-01Ticlopidine Impurity L (4-Oxo Ticlopidine)
318871Ticlopidine HCl
HY-100386R-01Ticlopidine (Standard)
T0362-01Ticlopidine hydrochloride
TRC-D282165-100MGDeschloro Ticlopidine
A22216-25Ticlopidine 25mg

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