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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > tertiary alcohol > 4-(diethylamino)but-2-yn-1-ol > esoxybutynin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > 4-(diethylamino)but-2-yn-1-ol > esoxybutynin
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > 4-(diethylamino)but-2-yn-1-ol > esoxybutynin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > 4-(diethylamino)but-2-yn-1-ol > esoxybutynin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > 4-(diethylamino)but-2-yn-1-ol > esoxybutynin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > acetylenic compound > 4-(diethylamino)but-2-yn-1-ol > esoxybutynin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > acetylenic compound > 4-(diethylamino)but-2-yn-1-ol > esoxybutynin
organooxygen compound > ester > carboxylic ester > 4-(diethylamino)but-2-yn-1-ol > esoxybutynin
organooxygen compound > carbonyl compound > carboxylic ester > 4-(diethylamino)but-2-yn-1-ol > esoxybutynin

Preferred term

esoxybutynin  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C22H31NO3

has_role

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

is_enantiomer_of

mass

  • 357.494

monoisotopicmass

  • 357.23039

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydroxy)phenylacetate

synonym RELATED

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:51329

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