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CHEBI:6507 - Lobelanidine

ChEBI IDCHEBI:6507
ChEBI NameLobelanidine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H29NO2
Net Charge0
Average Mass339.479
Monoisotopic Mass339.21983
SMILES[H][C@@]1(C[C@H](O)c2ccccc2)CCC[C@]([H])(C[C@@H](O)c2ccccc2)N1C
InChIInChI=1S/C22H29NO2/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/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20+,21-,22+
InChIKeyOWGJQNXIWMMDTH-COPRSSIGSA-N
ChEBI Ontology
Outgoing Relation(s)
Lobelanidine (CHEBI:6507) is a citraconoyl group (CHEBI:23315)
Synonym  Source
LobelanidineKEGG COMPOUND
Manual XrefsDatabases
C10156KEGG COMPOUND
C00002051KNApSAcK
Registry NumbersSources
CAS:552-72-7KEGG COMPOUND