ChemSpider 2D Image | Tiotropium bromide | C19H22BrNO4S2

Tiotropium bromide

  • Molecular FormulaC19H22BrNO4S2
  • Average mass472.416 Da
  • Monoisotopic mass471.017365 Da
  • ChemSpider ID10482095
  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Tiotropium bromide [INN] [Wiki]
(1a,2b,4b,5a,7b)-7-[(Hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0 2,4 ]nonane bromide
(1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonanbromid [German] [ACD/IUPAC Name]
(1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide [ACD/IUPAC Name]
(1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide
136310-93-5 [RN]
3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-, bromide, (1R,2R,4S,5S)- (1:1) [ACD/Index Name]
6965
6b,7b-Epoxy-3b-hydroxy-8-methyl-1aH,5aH-tropanium bromide di-2-thienylglycolate
BA 679 BR [WLN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Ba 679 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 090203
    • Chemical Class:

      An organic bromide salt having (1<stereo>alpha</stereo>,2<locant>beta</locant>,4<locant>beta</locant>,5<stereo>alpha</stereo>,7<locant>beta</locant>)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3- oxa-9-azoniatricyclo[3.3.1.0<smallsup>2,4</smallsup>]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive p ulmonary disease. ChEBI CHEBI:90959
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 5902
      Acetylcholine (Muscarinic) Receptors Tocris Bioscience 5902
      Acetylcholine Muscarinic Receptors Tocris Bioscience 5902
      Non-selective Muscarinics Tocris Bioscience 5902
      Potent muscarinic receptor antagonist Tocris Bioscience 5902
      Potent muscarinic receptor antagonist. Inhibits electrical field stimulation-induced contraction of guinea pig trachea in vitro (IC50 = 0.17 nM). Induces smooth muscle relaxation and bronchodilation. Tocris Bioscience 5902

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

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