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esoxybutynin

Go to external page http://purl.obolibrary.org/obo/CHEBI_51329

A 4-(diethylamino)but-2-yn-1-ol yhat has S configuration. In contrast to the (R)- enantiomer, esoxybutynin exhibits essentially no anticholinergic activity.

Term info

Label

esoxybutynin

Synonyms
  • 4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydroxy)phenylacetate
database cross reference
Subsets

3_STAR

INN
esoxybutyninum [ WHO_MedNet ]

INN
esoxybutynine [ WHO_MedNet ]

IUPAC NAME
4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydroxy)phenylacetate [ IUPAC ]

INN
esoxibutinina [ WHO_MedNet ]

INN
esoxybutynin [ WHO_MedNet ]

charge

0

formula

C22H31NO3

has obo namespace

chebi_ontology

has related synonym

(S)-oxybutynin, esoxybutynine, esoxybutyninum, esoxibutinina, esoxybutynin, (+)-oxybutynin, (S)-(+)-oxybutynin

id

CHEBI:51329

inchi

InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m1/s1

inchikey

XIQVNETUBQGFHX-JOCHJYFZSA-N

mass

357.494

monoisotopicmass

357.23039

smiles

C1(CCCCC1)[C@](C2=CC=CC=C2)(C(OCC#CCN(CC)CC)=O)O