Ticlopidine Hydrochloride

HCID 65335CAS 53885-35-1

기본 정보

표준 SMILES: Cl.Clc1ccccc1CN1CCc2sccc2C1
InChIKey: MTKNGOHFNXIVOS-UHFFFAOYSA-N
분자식: C14H15Cl2NS
평균 분자량: 300.2 g/mol
단동위원소 질량: 299.03022584

개요

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.

이름 및 식별자

우선 이름: Ticlopidine Hydrochloride
IUPAC: 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

이름 및 동의어

TICLOPIDINE HYDROCHLORIDE53885-35-1Ticlopidine HCLTiclidPanaldineTiclodixTiclodoneTiklid5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochlorideIpaton53-32CNSC-759165

이름 더 보기

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

데이터베이스 식별자

CAS: 53885-35-1
PubChem CID: 65335
DTXSID: DTXSID80202141
ChEMBL: CHEMBL1717
UNII: A1L4914FMF
EC Number: 258-837-4

물성

구조 계산 물성

극성 표면적: 31.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 261

실험 및 물리화학적 성질

Solubility2.9 [ug/mL] (The mean of the results at pH 7.4)

Human Drugs · 2건

FDA approved drugs -> Active ingredient

Collision Cross Section154.8 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Ticlopidine hydrochloride

vMost-DILI-concern

Warnings & precautions

DOI:10.1016/j.drudis.2016.02.015

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 4건

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.