Chemical substance record

Ticlopidine

55142-85-3C₁₄H₁₄ClNS263.793 g/mol

Organic/Inorganic Small MoleculeChEBI source record

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. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	55142-85-3	ChEBI ↗
Molecular formula	C₁₄H₁₄ClNS	ChEBI ↗
Molar mass	263.793 g/mol	ChEBI ↗
Monoisotopic mass	263.05355 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:9588	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	263.8 g/mol	PubChem ↗
Exact mass	263.0535483 Da	PubChem ↗
Computed XLogP	3.6	PubChem ↗
Topological polar surface area (Å²)	31.5	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	2	PubChem ↗
Rotatable bonds	2	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

ticlopidine

IUPAC name

5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

InChIKey

PHWBOXQYWZNQIN-UHFFFAOYSA-N

SMILES

Clc1ccccc1CN1CCc2sccc2C1

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

Names & synonyms

5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridineticlopidinaticlopidinum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

thienopyridineChEBI parent class · 37942 ↗monochlorobenzenesChEBI parent class · 83403 ↗

organosulfur compound organochlorine compound organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

fibrin modulating drughematologic agentanticoagulantplatelet aggregation inhibitorP2Y12 receptor antagonist

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00379085 mol

Uses 263.793 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 14 atoms

63.74%

Cl

Chlorine · 1 atom

13.44%

S

Sulfur · 1 atom

12.16%

H

Hydrogen · 14 atoms

5.35%

N

Nitrogen · 1 atom

5.31%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Ticlopidine- and clopidogrel-associated thrombotic thrombocytopenic purpura (TTP): review of clinical, laboratory, epidemiological, and pharmacovigilance findings (1989-2008). ↗Kidney international. Supplement · 2009 Feb · PMID 19180126

DE2404308 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US4051141 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US4127580 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:9588

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 5472 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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