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Substance Name: Tiotropium bromide [USAN:INN:BAN]
RN: 136310-93-5
UNII: XX112XZP0J
InChIKey: DQHNAVOVODVIMG-FOGIBKMMSA-M

Note

  • A scopolamine derivative and CHOLINERGIC ANTAGONIST that functions as a BRONCHODILATOR AGENT. It is used in the treatment of CHRONIC OBSTRUCTIVE PULMONARY DISEASE.

Molecular Formula

  • C19-H22-N-O4-S2.Br

Molecular Weight

  • 472.4218
 

Classification Codes

  • Anti-Asthmatic Agents
  • Anticholinergic used in the Treatment of Chronic Obstructive Disease (COPD)
  • Autonomic Agents
  • Bronchodilator Agents
  • Cholinergic Agents
  • Cholinergic Antagonists
  • Neurotransmitter Agents
  • Parasympatholytics
  • Peripheral Nervous System Agents
  • Respiratory System Agents

Names and Synonyms

Name of Substance

  • Tiotropium
  • Tiotropium bromide [USAN:INN:BAN]

MeSH Heading

  • Tiotropium Bromide

Synonyms

  • 7-((Hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane bromide
  • BA 679 BR
  • BA 679BR
  • BA-679 BR
  • Spiriva
  • Spiriva Handihaler
  • Spiriva Respimat
  • Tiotropium bromide
  • UNII-XX112XZP0J

Systematic Name

  • 3-Oxa-9-azoniatricyclo(3,3.1.0(2,4))nonane, 7-((hydroxydi-2-thienylacetyl)oxy)-9,9-dimethyl-, bromide, (1alpha,2beta,4beta,5alpha,7beta)-

Registry Numbers

CAS Registry Number

  • 136310-93-5

FDA UNII

  • XX112XZP0J

System Generated Number

  • 0136310935

Molecular Formulas

Molecular Formula

  • C19-H22-N-O4-S2.Br

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

DQHNAVOVODVIMG-FOGIBKMMSA-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.[Br-]