(-)-Lobeline hydrochloride

C22H28ClNO2CAS 134-63-4373.92 g/mol

Open in Covalent MOL file
NOOHHCl
AlcoholKetoneTertiary amine

Properties

Molecular formula
C22H28ClNO2
Molar mass
373.92 g/mol
Exact mass
373.1809 Da
Melting point
178–180 °C
Water solubility
25 g/L
logP
4.66Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6
Stereocentres
R, S, Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P301+P316, P304+P340, P316, P321, P330, P403+P233, P405, P501

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

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.

Lobeline sulfate134-64-5Salt

Similar compounds

Hyoscyamine hydrochloride5934-50-946 % similar (±)-Homatropine87-00-343 % similar Granisetron hydrochloride107007-99-842 % similar 3-Phenylbutyrophenone1533-20-641 % similar (-)-Atropine101-31-541 % similar (±)-Atropine51-55-841 % similar Homatropine hydrobromide51-56-941 % similar β-Dimethylaminopropiophenone hydrochloride879-72-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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