Basic information
- CAS
5011-34-7- Standard SMILES
COc1ccc(CN2CCNCC2)c(OC)c1OC- InChIKey
UHWVSEOVJBQKBE-UHFFFAOYSA-N- Molecular formula
- C14H22N2O3
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.16304256
Overview
1-[(2,3,4-trimethoxyphenyl)methyl]piperazine is an aromatic amine.
Names & identifiers
- Preferred name
- Trimetazidine
- IUPAC
- 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
- English name
- Trimetazidine
- Molecular formula
- C14H22N2O3
- Molecular weight
- 266.34
Names & synonyms
Show more names
Database identifiers
- CAS
5011-34-7- PubChem CID
- 21109
- DTXSID
DTXSID2048531- ChEMBL
CHEMBL203266- ChEBI
CHEBI:94789- UNII
- N9A0A0R9S8
- EC Number
- 225-690-2
- Nikkaji
- J8.797A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Pharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 2 · bp2 200-205°
- Density
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- vapor pressure
- 0.003 Pa · 0.003Pa at 25℃
- storage temp.
- Hygroscopic, Refrigerator, Under inert atmosphere
- solubility
- Chlorofrom (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.07 · 9.07±0.10(Predicted)
- color
- Colourless to Pale Yellow Gel
- Stability
- Hygroscopic
- LogP
- 1.143 at · 1.143 at 25℃ and pH6
- CAS DataBase Reference
- 5011 · 5011-34-7(CAS DataBase Reference)
- FDA UNII
- 9 A0A0R9S8 · N9A0A0R9S8
- NCI Drug Dictionary
- trimetazidine
- ATC code
- 1 EB15 · C01EB15
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314-H412-H302
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501-P273-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Toxicology
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Trimetazidine
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H226-H314-H412-H302
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501-P273-P501
Chemistry & industry
Pharmacology
ATC Code
C01EB15
C - Cardiovascular system
QC - Cardiovascular system
Pharmacodynamics
Trimetazidine is indicated for the symptomatic treatment of stable angina pectoris in patients inadequately controlled or intolerant to first line therapies. Patients should be counselled regarding the risk of use with reduced renal or hepatic function, worsening of extrapyramidal symptoms or other movement disorders, and risk of falls.
Mechanism of Action
During myocardial ischemia, anaerobic metabolism takes over, increasing levels of lactic acid. The decreased intracellular pH and increased concentration of protons activates sodium-hydrogen and sodium-calcium antiport systems, raising intracellular calcium concentrations, finally leading to decreased contractility. This injury to the myocardium raises concentrations of catecholamines, which activate hormone sensitive lipase, and increasing fatty acid concentrations in plasma. When the myocardium is repurfused, fatty acid oxidation becomes the dominant form of ATP production, maintaining an acidic pH, and further exacerbating the injury. The mechanism of action of trimetazidine is not fully understood. Trimetazidine may inhibit mitochondrial 3-ketoacyl coenzyme A thiolase, decreasing long chain fatty acid β-oxidation but not glycolysis in the myocardium. The decreased long chain fatty acid β-oxidation is compensated for by increased use of glucose, preventing a lowered myocardial pH, and further decreases in contractility. However, another study suggests that 3-ketoacyl coenzyme A thiolase may not be trimetazidine's target, and that this mechanism may be incorrect.
Metabolism/Metabolites
Trimetazidine can be oxidized at the piperazine ring to form trimetazidine ketopiperazine. Trimetazidine can also be N-formylated, N-acetylated, or N-methylated at the piperazine ring to form N-formyltrimetazidine, N-acetyltrimetazidine, and N-methyltrimetazidine respectively. Alternatively, trimetazidine can be demethylated at the 2, 3, or 4 position of the 2,3,4-trimethoxybenzyl moiety to form 2-desmethyltrimetazidine, 3-desmethyltrimetazidine, or 4-desmethyltrimetazidine. The desmethyltrimetazidine metabolites can undergo sulfate conjugation or glucuronidation prior to elimination.
Absorption, Distribution and Excretion
In elderly patients, a 35 mg oral modified release tablet reaches a mean Cmax of 115 µg/L, with a Tmax of 2.0-5.0 hours, and a mean AUC0-12 of 1104 h\*µg/L. In young, healthy patients, the same dose reaches a mean Cmax of 91.2 µg/L, with a Tmax of 2.0-6.0 hours, and an AUC0-12h 720 h\*µg/L.
Trimetazidine is 79-84% eliminated in the urine, with 60% as the unchanged parent compound. In a study of 4 healthy subjects, individual metabolites made up 0.01-1.4% of the dose recovered in urine. In the urine, 2-desmethyltrimetazidine made up 0-1.4% of the recovered dose, 3- and 4-desmethyltrimetazidine made up 0.039-0.071% each, N-methyltrimetazidine made up 0.015-0.11%, trimetazidine ketopiperazine made up 0.011-0.4%, N-formyltrimetazidine made up 0.035-0.42%, N-acetyltrimetazidine made up 0.016-0.19%, desmethyl trimetazidine O-sulphate made up 0.01-0.65%, and an unknown metabolite made up0.026-0.67%.
The volume of distribution of trimetazidine is 4.8 L/kg.
Trimetazidine clearance is strongly correlated with creatinine clearance. In eldery patients with a creatinine clearance of 72 ± 8 mL/min, trimetazidine clearance was 15.69 L/h. In young, healthy patients with a creatinine clearance of 134 ± 18 mL/min, trimetazidine clearance was 25.2 L/h.
Applications
Uses1-(2,3,4-Trimethoxybenzyl)piperazine is used in combination with atorvastatin in the treatment of coronary heart disease and angina pectoris.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers38 total
Additional notes
DefinitionChEBI: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine is an aromatic amine.
Related reactions
Compound notes
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