Oxybutynin

CAS Registry Number®

5633-20-5

CAS Name

Oxybutynin

Molecular Formula

C22H31NO3

Molecular Mass

357.49

Cite this Page

Oxybutynin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=119579-36-1 (retrieved 2024-11-25) (CAS RN: 5633-20-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=XIQVNETUBQGFHX-UHFFFAOYSA-N

SMILES

C(C(OCC#CCN(CC)CC)=O)(O)(C1CCCCC1)C2=CC=CC=C2

Canonical SMILES

O=C(OCC#CCN(CC)CC)C(O)(C=1C=CC=CC1)C2CCCCC2

Other Names for this Substance

  • Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(diethylamino)-2-butyn-1-yl ester
  • Cyclohexaneglycolic acid, α-phenyl-, 4-(diethylamino)-2-butynyl ester
  • Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(diethylamino)-2-butynyl ester
  • 2-Butyn-1-ol, 4-(diethylamino)-, α-phenylcyclohexaneglycolate (ester)
  • 4-Diethylamino-2-butynyl α-phenylcyclohexaneglycolate

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Deleted or Replaced CAS Registry Numbers

119579-36-1, 1552323-10-0

CAS INSIGHTSTM
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