chempirical

(-)-Lobeline hydrochloride

C22H28ClNO2CAS 134-63-4373.92 g/mol

Open in Covalent MOL file
NOHOHCl
AlcoholHalogenKetoneTertiary Amine

Properties

Molecular formula
C22H28ClNO2
Molar mass
373.92 g/mol
Exact mass
373.1809 Da
Melting point
178–180 °C
logP
4.66Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6

Identifiers

CAS number
134-63-4
SMILES
CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1.Cl
InChIKey
MKMYPTLXLWOUSO-NFQNBQCWSA-N
InChI
InChI=1S/C22H27NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H/t19-,20+,21-;/m0./s1

Weigh it out

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

Names and synonyms

9 names
  • Ethanone, 2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl]-1-phenyl-, hydrochloride (1:1)
  • Lobeline, hydrochloride
  • Ethanone, 2-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl]-1-phenyl-, hydrochloride, [2R-[2α,6α(S*)]]-
  • Ethanone, 2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl]-1-phenyl-, hydrochloride
  • Lobelin hydrochloride
  • (-)-α-Lobeline hydrochloride
  • Zoolobelin
  • Lobron
  • VUF 10751

Work with (-)-Lobeline hydrochloride

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

Elsewhere

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