Basic information
- Standard SMILES
Cl.Clc1ccccc1CN1CCc2sccc2C1- InChIKey
MTKNGOHFNXIVOS-UHFFFAOYSA-N- Molecular formula
- C14H15Cl2NS
- Average molar mass
- 300.2 g/mol
- Monoisotopic mass
- 299.03022584
Overview
Ticlopidine Hydrochloride is the hydrochloride salt form of ticlopidine, a thienopyridine derivative with anticoagulant property. Ticlopidine hydrochloride irreversibly inhibits adenosine-diphosphate (ADP)-induced platelet-fibrinogen binding by binding to the glycoprotein (GP) IIb/IIIA complex, one of the two purinergic receptors activated by ADP. Inhibition of the receptor activation causes the inhibition of adenylyl cyclase, results in decreased levels of cyclic adenosine monophosphate and thereby interferes with platelet membrane function and subsequent, platelet-platelet interaction, release of platelet granule constituents and prolongation of bleeding time.
Names & identifiers
- Preferred name
- Ticlopidine Hydrochloride
- IUPAC
- 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
Names & synonyms
TICLOPIDINE HYDROCHLORIDE53885-35-1Ticlopidine HCLTiclidPanaldineTiclodixTiclodoneTiklid5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochlorideIpaton53-32CNSC-759165
Show more names
A1L4914FMFThieno(3,2-c)pyridine, 5-((2-chlorophenyl)methyl)-4,5,6,7-tetrahydro-, hydrochlorideHydrochloride, TiclopidineDTXSID802021415-(o-Chlorobenzyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridinium chloride5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridine hydrochlorideCHEBI:9589RefChem:57661
Database identifiers
- CAS
53885-35-1- PubChem CID
- 65335
- DTXSID
DTXSID80202141- ChEMBL
CHEMBL1717- UNII
- A1L4914FMF
- EC Number
- 258-837-4
Properties
Computed structural properties
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
Solubility2.9 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section154.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 208 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - Thieno[3,2-c]pyridine, 5-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-, hydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Ticlopidine hydrochloride
vMost-DILI-concern
4
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Compounds that bind to and block the stimulation of PURINERGIC P2Y RECEPTORS. Included under this heading are antagonists for specific P2Y receptor subtypes.
Drugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 CYP2C19.
Related reactions
15 records
Linked notes
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