Tiotropium bromide monohydrate

CAS Registry Number®

411207-31-3
No image available.

CAS Name

Tiotropium bromide monohydrate

Molecular Formula

C19H22NO4S2.Br.H2O

Cite this Page

Tiotropium bromide monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=411207-31-3 (retrieved 2021-10-19) (CAS RN: 411207-31-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C19H22NO4S2.BrH.H2O/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H;1H2/q+1;;/p-1/t11-,12-,13+,16-,17+;;

InChIKey

InChIKey=MQLXPRBEAHBZTK-SEINRUQRNA-M

SMILES

C(C(O[C@H]1C[C@H]2[C@]3([C@@]([C@@H](C1)[N+]2(C)C)(O3)[H])[H])=O)(O)(C4=CC=CS4)C5=CC=CS5.[Br-].O

Canonical SMILES

[Br-].O=C(OC1CC2C3OC3C(C1)[N+]2(C)C)C(O)(C=4SC=CC4)C=5SC=CC5.O

Other Names for this Substance

  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-, bromide, hydrate (1:1:1), (1α,2β,4β,5α,7β)-
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-, bromide, monohydrate, (1α,2β,4β,5α,7β)-
  • Tiotropium bromide monohydrate