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CHEBI:174441 - N-desethyloxybutynin

ChEBI IDCHEBI:174441
ChEBI NameN-desethyloxybutynin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27NO3
Net Charge0
Average Mass329.440
Monoisotopic Mass329.19909
SMILESCCNCC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H27NO3/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3
InChIKeySNIBJKHIKIIGPR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-desethyloxybutynin (CHEBI:174441) is a benzenes (CHEBI:22712)
IUPAC Name 
4-(ethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Manual XrefsDatabases
117831ChemSpider
HMDB0061042HMDB
Registry NumbersSources
CAS:80976-67-6ChemIDplus