chempirical

Trimetazidine dihydrochloride

C14H24Cl2N2O3CAS 13171-25-0339.26 g/mol

Open in Covalent MOL file
ONNHOOHClHCl
EtherSecondary amineTertiary 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 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

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

Similar compounds

Trimetazidine5011-34-791 % similar 1-(3,4-Dimethoxyphenyl)piperazine hydrochloride16015-72-850 % similar 1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-847 % similar 2,3,4-Trimethoxybenzyl alcohol71989-96-346 % similar 4-Benzylpiperazine hydrochloride110475-31-543 % similar Benzylpiperazine dihydrochloride5321-63-143 % similar N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-542 % similar 1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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