Trimetazidine
Properties
- Molecular formula
- C14H22N2O3
- Molar mass
- 266.34 g/mol
- Exact mass
- 266.1630 Da
- Boiling point
- 202.5 °C
- logP
- 1.12Crippen estimate
- Polar surface area
- 43.0 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 5
Hazards
Danger
- H226 Flammable liquid and vapor66.7% of notifiers
- H302 Harmful if swallowed66.7% of notifiers
- H314 Causes severe skin burns and eye damage66.7% of notifiers
- H315 Causes skin irritation33.3% of notifiers
- H318 Causes serious eye damage66.7% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
- H412 Harmful to aquatic life with long lasting effects66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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, P501
Identifiers
CAS number
5011-34-7SMILES
COc1ccc(CN2CCNCC2)c(OC)c1OCInChIKey
UHWVSEOVJBQKBE-UHFFFAOYSA-NInChI
InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Piperazine, 1-[(2,3,4-trimethoxyphenyl)methyl]-
- Piperazine, 1-(2,3,4-trimethoxybenzyl)-
- 1-[(2,3,4-Trimethoxyphenyl)methyl]piperazine
- 1-(2,3,4-Trimethoxybenzyl)piperazine
- Preductal
- Vasorel
- 4-(2,3,4-Trimethoxybenzyl)piperazine
- Preductal MB
- Trimetazidine (TMZ)
- TMZ
Work with Trimetazidine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Lomerizine101477-55-854 % similar
Lomerizine dihydrochloride101477-54-751 % similar
1-((4-Methoxyphenyl)methyl)piperazine21867-69-650 % similar
2,3,4-Trimethoxybenzyl alcohol71989-96-350 % similar
1-(3,4-Dimethoxyphenyl)piperazine hydrochloride16015-72-843 % similar
2,3,4-Trimethoxybenzeneacetic acid22480-91-743 % similar
1-(2-Methoxyphenyl)piperazine35386-24-443 % similar
1-Piperonylpiperazine32231-06-441 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.