5-(o-Chlorbenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridiniumchlorid
Ticlopidine Hydrochloride
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
53885-35-1- Standard-SMILES
Cl.Clc1ccccc1CN1CCc2sccc2C1- InChIKey
MTKNGOHFNXIVOS-UHFFFAOYSA-N- Summenformel
- C14H15Cl2NS
- Durchschnittliche Molmasse
- 300,2 g/mol
- Monoisotopische Masse
- 299,03022584
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- Ticlopidine Hydrochloride
- IUPAC
- 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
- Lokaler Name
- 5-(o-Chlorbenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridiniumchlorid
- Englischer Name
- Ticlopidine hydrochloride
- Summenformel
- C14H14ClNS.ClH
- Molmasse
- 300.25
Namen und Synonyme
TICLOPIDINE HYDROCHLORIDE53885-35-1Ticlopidine HCLTiclidPanaldineTiclodixTiclodoneTiklid5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochlorideIpaton53-32CNSC-759165
Weitere Namen anzeigen
Soper4-c-32TiklydIparazin
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
Datenbank-Bezeichner
- CAS
53885-35-1- PubChem CID
- 65335
- DTXSID
DTXSID80202141- ChEMBL
CHEMBL1717- UNII
- A1L4914FMF
- EC Number
- 258-837-4
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 31,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 261
Experimentelle und physikochemische Eigenschaften
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- 205 °C · 205°C
- Dichte
- 1.37 g/cm3 · 1.37 g/cm3
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Sparingly soluble in water and in anhydrous ethanol, very slightly soluble in ethyl acetate.
- pka
- 7.64 · 7.64(at 25℃)
- Aggregatzustand
- Solid
- Farbe
- White
- Wasserlöslichkeit
- 100 mM · Soluble to 100 mM in water and to 100 mM in DMSO.
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Toxikologische Informationen
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
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2934990002
- RTECS-Nr.
- XJ9089100
- risk_code
- 22-36/37/38
- Toxizität
- LD50 in mice (mg/kg/24 hrs): 55 i.v.; >300 orally (Castaigne)
- hazard_code
- Xn,Xi
Chemie und Industrie
Pharmakologische Informationen
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.
Anwendungen
VerwendenTiclopidine hydrochloride is a selective P2Y12 receptor antagonist. It inhibits ADP-induced platelet aggregation and displays antithrombotic activity following oral administration in vivo.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
15
Notizen zur Verbindung
Wird geladen…