chempirical

Lomerizine dihydrochloride

C27H32Cl2F2N2O3CAS 101477-54-7541.46 g/mol

Open in Covalent MOL file
ONNFFOOHClHCl
Aryl halideEtherTertiary amine

Properties

Molecular formula
C27H32Cl2F2N2O3
Molar mass
541.46 g/mol
Exact mass
540.1758 Da
Melting point
214–218 °C (decomposes)
logP
5.74Crippen estimate
Polar surface area
34.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
8

Identifiers

CAS number
101477-54-7
SMILES
COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC.Cl.Cl
InChIKey
LOGVKVSFYBBUAJ-UHFFFAOYSA-N
InChI
InChI=1S/C27H30F2N2O3.2ClH/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20;;/h4-13,25H,14-18H2,1-3H3;2*1H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]-, hydrochloride (1:2)
  • Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]-, dihydrochloride
  • KB 2796
  • Lomerizine hydrochloride

Work with Lomerizine 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

Lomerizine101477-55-893 % similar Trimetazidine dihydrochloride13171-25-057 % similar Trimetazidine5011-34-751 % similar Flunarizine hydrochloride30484-77-644 % similar Dl-Tetrahydropalmatine hydrochloride6024-85-740 % similar 1-[Bis(4-fluorophenyl)methyl]piperazine27469-60-939 % similar Flunarizine52468-60-739 % similar (±)-Tetrahydropalmatine10097-84-438 % similar

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

Elsewhere

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