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SML2008 Sigma-Aldrich

Tiotropium bromide monohydrate

≥98% (HPLC)

Synonym: (1α, 2β, 4 β, 5α, 7β)-7-[(Hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide monohydrate, 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), 6β,7β-epoxy-3β-hydroxy-8-methyl-1αH,5αH-tropanium bromide monohydrate, di-2-thienylglycolate

  • CAS Number 411207-31-3

  • Empirical Formula (Hill Notation) C19H22BrNO4S2 · H2O

  • Molecular Weight 490.43

  •  MDL number MFCD23704176

  •  NACRES NA.77

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Properties

Related Categories Bioactive Small Molecule Alphabetical Index, Bioactive Small Molecules, Cell Biology, T
assay   ≥98% (HPLC)
form   powder
color   white to beige
solubility   H2O: 2 mg/mL, clear
storage temp.   2-8°C
SMILES string   [H]O[H].O=C(C(C1=C([H])C([H])=C([H])S1)(O[H])C2=C([H])C([H])=C([H])S2)O[C@@]3([H])C([H])([H])[C@@]4([H])[C@@]5([H])[C@@](O5)([H])[C@](C3([H])[H])([H])[N+]4(C([H])([H])[H])C([H])([H])[H].[Br-]
InChI   1S/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?;;
InChI key   MQLXPRBEAHBZTK-YQMLGFMRSA-M

Description

Biochem/physiol Actions

Tiotropium Bromide is an anticholinergic broncholidator. It is considsered a long acting muscarinic receptor antagonist (LAMA) and is used clinically as an inhaled bronchodilator for COPD and asthma.

Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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