Tiotropium bromide monohydrate
CAS Registry Number®
411207-31-3
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CAS Name
Tiotropium bromide monohydrateMolecular Formula
C19H22NO4S2.Br.H2OCite this Page
Tiotropium bromide monohydrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=411207-31-3 (retrieved ) (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@]2([C@]3([C@@]([C@@](C1)([N+]2(C)C)[H])(O3)[H])[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
