chempirical

Vanoxerine dihydrochloride

C28H34Cl2F2N2OCAS 67469-78-7523.49 g/mol

Open in Covalent MOL file
HClHClFONNF
Aryl halideEtherTertiary amine

Properties

Molecular formula
C28H34Cl2F2N2O
Molar mass
523.49 g/mol
Exact mass
522.2016 Da
logP
6.16Crippen estimate
Polar surface area
15.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
10

Identifiers

CAS number
67469-78-7
SMILES
Cl.Cl.Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIKey
MIBSKSYCRFWIRU-UHFFFAOYSA-N
InChI
InChI=1S/C28H32F2N2O.2ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;;/h1-3,5-6,8-15,28H,4,7,16-22H2;2*1H

Weigh it out

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

Names and synonyms

5 names
  • Piperazine, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)-, hydrochloride (1:2)
  • Piperazine, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)-, dihydrochloride
  • GBR 12909
  • I 893
  • 1-(2-(Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine dihydrochloride

Work with Vanoxerine 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

Cloperastine hydrochloride14984-68-058 % similar Cloperastine3703-76-252 % similar Diphenhydramine hydrochloride147-24-048 % similar 1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine hydrochloride (1:2)165377-44-642 % similar Diphenhydramine58-73-141 % similar Flunarizine hydrochloride30484-77-641 % similar Orphenadrine hydrochloride341-69-541 % similar (±)-Nefopam hydrochloride23327-57-338 % similar

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

Elsewhere

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