(S)-Oxybutynin hydrochloride

CAS Registry Number®

230949-16-3

CAS Name

(S)-Oxybutynin hydrochloride

Molecular Formula

C22H31NO3.ClH

Cite this Page

(S)-Oxybutynin hydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=230949-16-3 (retrieved 2024-11-22) (CAS RN: 230949-16-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    117-118 °C

Source(s)

Other Names and Identifiers

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

InChIKey=SWIJYDAEGSIQPZ-VZYDHVRKSA-N

SMILES

[C@](C(OCC#CCN(CC)CC)=O)(O)(C1CCCCC1)C2=CC=CC=C2.Cl

Canonical SMILES

Cl.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, hydrochloride (1:1), (αS)-
  • Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(diethylamino)-2-butynyl ester, hydrochloride, (αS)-
  • (S)-Oxybutynin hydrochloride
  • Esoxybutynin chloride

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