Trimetazidine dihydrochloride

C₁₄H₂₄Cl₂N₂O₃CAS 13171-25-0339.26 g/mol

Open in Covalent MOL file

Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₁₄H₂₄Cl₂N₂O₃
Molar mass: 339.26 g/mol
Exact mass: 338.1164 Da
Melting point: 225–228 °C
logP: 1.96Crippen estimate
Polar surface area: 43.0 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed98.2% of notifiers
H315 Causes skin irritation92.8% of notifiers
H319 Causes serious eye irritation92.8% of notifiers
H335 May cause respiratory irritation91% of notifiers

Aggregated from 111 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

13171-25-0

SMILES

COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl

InChIKey

VYFLPFGUVGMBEP-UHFFFAOYSA-N

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

Weigh 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]-, hydrochloride (1:2)
Piperazine, 1-(2,3,4-trimethoxybenzyl)-, dihydrochloride
Piperazine, 1-[(2,3,4-trimethoxyphenyl)methyl]-, dihydrochloride
Vastarel
S 4004
1-(2,3,4-Trimethoxybenzyl)piperazine dihydrochloride
Vastarel F
Yoshimilon
Kyurinett
Trivedon

Work with Trimetazidine dihydrochloride

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 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.

Trimetazidine5011-34-7Free base

Similar compounds

Lomerizine dihydrochloride101477-54-757 % similar Lomerizine101477-55-851 % similar 1-(3,4-Dimethoxyphenyl)piperazine hydrochloride16015-72-850 % similar 1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-847 % similar 1-((4-Methoxyphenyl)methyl)piperazine21867-69-647 % similar 2,3,4-Trimethoxybenzyl alcohol71989-96-346 % similar 1-(5-Chloro-2-methoxyphenyl)piperazine hydrochloride99857-72-445 % similar 4-Benzylpiperazine hydrochloride110475-31-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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