Tiotropium

CAS Registry Number®

186691-13-4

CAS Name

Tiotropium

Molecular Formula

C19H22NO4S2

Cite this Page

Tiotropium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=186691-13-4 (retrieved 2024-11-21) (CAS RN: 186691-13-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C19H22NO4S2/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/q+1/t11-,12-,13+,16-,17+

InChIKey

InChIKey=LERNTVKEWCAPOY-DZZGSBJMNA-N

SMILES

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

Canonical SMILES

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

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-, (1α,2β,4β,5α,7β)-
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-, (1α,2β,4β,5α,7β)-
  • (1α,2β,4β,5α,7β)-7-[(2-Hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane
  • Tiotropium
  • Respimat

View All

Deleted or Replaced CAS Registry Numbers

1248897-70-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration