Lobeline; (-)-form, Ac

AlkaPlorer ID: AK304562

Synonym: O-Acetyllobeline 

IUPAC Name: [2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate

Structure

SMILES: CC(=O)OC(CC1CCCC(CC(=O)C2=CC=CC=C2)N1C)C1=CC=CC=C1

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InChI: InChI=1S/C24H29NO3/c1-18(26)28-24(20-12-7-4-8-13-20)17-22-15-9-14-21(25(22)2)16-23(27)19-10-5-3-6-11-19/h3-8,10-13,21-22,24H,9,14-17H2,1-2H3

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InChIKey: GJWRCTSARJBEEU-UHFFFAOYSA-N

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Reference

PubChem CID: 74412786

COCONUT: CNP0104959.1

Source

Properties Information

Molecule Weight: 379.50000000000006

TPSA: 46.61000000000001

MolLogP: 4.806800000000004

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information