Lobeline

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Systematic / IUPAC Name: 2-{(2R,6S)-6-[(2S)-2-Hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl}-1-phenylethanone

ID: Reference7307

Other Names: α-Lobeline;
(-)-Lobeline;
Inflatine;
Lobelin;
Lobelina ; more

Formula: C22H27NO2

Class: Therapeutics/Prescription Drugs Sports Doping Drugs Endogenous Metabolites

Spectral Data

Lobeline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/1/2018 9:49:52 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H27NO2/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/t19-,20+,21-/m0/s1
InChI Key MXYUKLILVYORSK-HBMCJLEFSA-N
Canonical SMILES CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O
CAS
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Other Names α-Lobeline;
(-)-Lobeline;
Inflatine;
Lobelin;
Lobelina;
Lobelinum;
Lobnico;
Lobron;
2-{(2R,6S)-6-[(S)-2-Hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl}-1-phenylethan-1-one ;
2-[6-(β-Hydroxyphenethyl)-1-methyl-2-piperidyl]acetophenone ;
2-[6-(2-Hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl]-1-phenylethanone ;
2-{(2R,6S)-6-[(2S)-2-Hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl}-1-phenylethanone;
8,10-Diphenyllobelionol

In Other Databases

KEGG C07475; D02364
ChEBI CHEBI:48723
DrugBank DB05137
Wikipedia Lobeline
PubChem 101616
ChemSpider 91814
ChEMBL CHEMBL122270