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esoxybutynin chloride

Go to external page http://purl.obolibrary.org/obo/CHEBI_51330

Term info

Label

esoxybutynin chloride

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

3_STAR

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

charge

0

formula

C22H32ClNO3, C22H31NO3.Cl.H

has obo namespace

chebi_ontology

id

CHEBI:51330

inchi

InChI=1S/C22H31NO3.ClH/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;1H/t22-;/m1./s1

inchikey

SWIJYDAEGSIQPZ-VZYDHVRKSA-N

mass

393.950

monoisotopicmass

393.20707

smiles

[H+].[Cl-].C1(CCCCC1)[C@@](C(OCC#CCN(CC)CC)=O)(C2=CC=CC=C2)O

Term relations