Ipratropium bromide monohydrate

CAS Registry Number®

66985-17-9

CAS Name

Ipratropium bromide monohydrate

Molecular Formula

C20H30NO3.Br.H2O

Cite this Page

Ipratropium bromide monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66985-17-9 (retrieved 2024-11-22) (CAS RN: 66985-17-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1/t16-,17+,18+,19?,21+;;

InChIKey

InChIKey=KEWHKYJURDBRMN-ZEODDXGYNA-M

SMILES

C(C)(C)[N@@+]1(C)[C@]2(C[C@H](OC(C(CO)C3=CC=CC=C3)=O)C[C@@]1(CC2)[H])[H].[Br-].O

Canonical SMILES

[Br-].O=C(OC1CC2CCC(C1)[N+]2(C)C(C)C)C(C=3C=CC=CC3)CO.O

Other Names for this Substance

  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide, hydrate (1:1:1), (3-endo,8-syn)-
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide, monohydrate, (endo,syn)-(±)-
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide, monohydrate, (3-endo,8-syn)-
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, bromide, monohydrate, (endo,syn)-
  • Ipratropium bromide monohydrate

Deleted or Replaced CAS Registry Numbers

922491-06-3, 952319-48-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration