Lomerizine dihydrochloride

C₂₇H₃₂Cl₂F₂N₂O₃CAS 101477-54-7541.46 g/mol

Open in Covalent MOL file

Aryl halide Ether Tertiary 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 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 8

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H400 Very toxic to aquatic life97.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

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

Weigh it out

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

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.

Lomerizine101477-55-8Free base

Similar compounds

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 Rotundine2934-97-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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