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Substance Name: Tiotropium bromide monomethanolate
RN: 913719-58-1
UNII: 2292GX2183
InChIKey: QTNPJYICQOWQRI-SEINRUQRSA-M

Molecular Formula

  • C19-H22-N-O4-S2.C-H4-O.Br

Molecular Weight

  • 504.4634
 
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Names and Synonyms

Name of Substance

  • Tiotropium bromide monomethanolate

Synonyms

  • 3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((2-hydroxy-2,2-di-2-thienylacetyl)oxy)-9,9-dimethyl-, bromide, (1alpha,2beta,4beta,5alpha,7beta)-, compd. with methanol (1:1:1)
  • 3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((hydroxydi-2-thienylacetyl)oxy)-9,9-dimethyl-, bromide, (1alpha,2beta,4beta,5alpha,7beta)-, compd. with methanol (1:1)
  • Tiotropium bromide methanol solvate
  • Tiotropium bromide monomethanolate
  • UNII-2292GX2183

Registry Numbers

CAS Registry Number

  • 913719-58-1

FDA UNII

  • 2292GX2183

System Generated Number

  • 0913719581

Structure Descriptors

InChI

1S/C19H22NO4S2.CH4O.BrH/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;1-2;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;2H,1H3;1H/q+1;;/p-1/t11-,12-,13+,16-,17+;;

InChIKey

QTNPJYICQOWQRI-SEINRUQRSA-M

Smiles

[Br-].CO.C[N+]1(C)[C@@H]2CC(C[C@H]1[C@@H]3O[C@H]23)OC(=O)C(O)(c4cccs4)c5cccs5