Grundinformationen
- Standard-SMILES
COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl- InChIKey
VYFLPFGUVGMBEP-UHFFFAOYSA-N- Summenformel
- C14H24Cl2N2O3
- Durchschnittliche Molmasse
- 339,3 g/mol
- Monoisotopische Masse
- 338,11639799
Überblick
Trimetazidine hydrochloride is an aromatic amine.
Namen und Bezeichner
- Bevorzugter Name
- Trimetazidine Dihydrochloride
- IUPAC
- 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride
- Lokaler Name
- Trimetazidindihydrochlorid
- Englischer Name
- Trimetazidine dihydrochloride
- Summenformel
- C14H24Cl2N2O3
- Molmasse
- 339.26
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
13171-25-0- PubChem CID
- 83201
- DTXSID
DTXSID1045407- ChEMBL
CHEMBL3561076- ChEBI
CHEBI:32262- UNII
- 48V6723Z1P
- EC Number
- 236-117-0
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 43 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 259
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 231 · 231-235 °C(lit.)
- storage temp.
- Refrigerator
- Löslichkeit
- Freely soluble in water, sparingly soluble in alcohol.
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Merck
- 14 · 14,9705
- Stabilität
- Hygroscopic
- InChI
- InChI=1S/C14H22N2O3.2ClH/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16;;/h4-5,15H,6-10H2,1-3H3;2*1H
- InChIKey
- XIRALXKCBGTYSC-UHFFFAOYSA-N
- SMILES
- C1(C=CC(OC)=C(OC)C=1OC)CN1CCNCC1.Cl.Cl
- CAS Datenbank
- 13171 · 13171-25-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 111 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- RTECS-Nr.
- TM2976100
- risk_code
- 22-36/37/38
- Toxizität
- LD50 in male, female mice, rats (mg/kg): 91, 107, 124, 124 i.v.; 264, 245, 327, 288 i.p.; 528, 608, 1147, 987 orally (Harpey)
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Anwendungen
BeschreibungTrimetazidine (hydrochloride) (Item No. 18165) is an analytical reference standard that is structurally categorized as a piperazine. It decreases fatty acid β-oxidation by reversibly inhibiting mitochondrial long-chain 3-ketoacyl thiolase (IC50 = 75 nM). This, in turn, stimulates glucose oxidation. In ischemic heart, trimetazidine reduces ischemia/reperfusion injury in clinical trials. Compounds that reduce mitochondrial fatty acid β-oxidation, including trimetazidine, have shown clinical efficacy against chronic stable angina in clinical trials. In part because of its ability to ameliorate testosterone cardiotoxicity, trimetazidine has been classified as a prohibited substance by the World Anti-Doping Agency. This product is intended for research and forensic applications.
Verwenden1-(2,3,4-Trimethoxybenzyl)piperazine dihydrochloride or trimetazidine dihydrochloride can be used as a building block to synthesize: Phenylpropyl trimetazidine derivatives with potent cerebral vasodilator activity.Benzoylguanidine-trimetazidine derivatives for myocardial ischemic-reperfusion activity studies.
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…