Ipratropium

CAS Registry Number®

60205-81-4

CAS Name

Ipratropium

Molecular Formula

C20H30NO3

Cite this Page

Ipratropium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60205-81-4 (retrieved 2024-11-24) (CAS RN: 60205-81-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C20H30NO3/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/q+1/t16-,17+,18+,19?,21+

InChIKey

InChIKey=OEXHQOGQTVQTAT-JRNQLAHRNA-N

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]

Canonical SMILES

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

Other Names for this Substance

  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, (3-endo,8-syn)-
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-, (endo,syn)-(±)-
  • (3-endo,8-syn)-3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo[3.2.1]octane
  • Ipratropium
  • (±)-Ipratropine

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Deleted or Replaced CAS Registry Numbers

197647-02-2

CAS INSIGHTSTM
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