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Substance Name: Tiotropium bromide monohydrate
RN: 411207-31-3
UNII: L64SXO195N
InChIKey: MQLXPRBEAHBZTK-SEINRUQRSA-M

Molecular Formula

  • C19-H22-N-O4-S2.Br.H2-O

Molecular Weight

  • 490.4366
 
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Names and Synonyms

Results Name

  • Tiotropium bromide monohydrate

Name of Substance

  • Tiotropium bromide

Synonyms

  • Tiotropium bromide monohydrate
  • UNII-L64SXO195N

Systematic Name

  • 3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((hydroxydi-2-thienylacetyl)oxy)-9,9-dimethyl-, bromide, monohydrate, (1alpha,2beta,4beta,5alpha,7beta)-

Registry Numbers

CAS Registry Number

  • 411207-31-3

FDA UNII

  • L64SXO195N

System Generated Number

  • 0411207313

Molecular Formulas

Molecular Formula

  • C19-H22-N-O4-S2.Br.H2-O

Molecular Formula Fragments

  • Br
  • C19-H22-N-O4-S2
  • COMPONENT
  • H2-O

Structure Descriptors

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+;;

InChIKey

MQLXPRBEAHBZTK-SEINRUQRSA-M

Smiles

C[N+]1([C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C.O.[Br-]