基本情報
- 標準SMILES
Cl.Clc1ccccc1CN1CCc2sccc2C1- InChIKey
MTKNGOHFNXIVOS-UHFFFAOYSA-N- 分子式
- C14H15Cl2NS
- 平均分子量
- 300.2 g/mol
- 単同位体質量
- 299.03022584
概要
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.
名称と識別子
- 優先名称
- Ticlopidine Hydrochloride
- IUPAC
- 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
名称と別名
TICLOPIDINE HYDROCHLORIDE53885-35-1Ticlopidine HCLTiclidPanaldineTiclodixTiclodoneTiklid5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochlorideIpaton53-32CNSC-759165
名称をさらに表示
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
データベース識別子
- CAS
53885-35-1- PubChem CID
- 65335
- DTXSID
DTXSID80202141- ChEMBL
CHEMBL1717- UNII
- A1L4914FMF
- EC Number
- 258-837-4
物性
構造計算による物性
- 極性表面積
- 31.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 261
実験および物理化学的性質
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]
安全と法規制
GHS分類
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.
危険有害性情報
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%)
毒性情報
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
化学と産業
薬理情報
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.
関連反応
15 件
関連ノート
読み込み中…