Tiotropium

Base Information

• Chemical Name: Tiotropium
• CAS No.: 186691-13-4
• Molecular Formula: C19H22 N O4 S2
• European Community (EC) Number: 807-116-8
• UNII: 0EB439235F
• Nikkaji Number: J534.368B,J550.817G
• Wikipedia: Tiotropium_bromide
• Wikidata: Q424316,Q27088996
• NCI Thesaurus Code: C76004
• RXCUI: 69120
• Pharos Ligand ID: V9WGZ9W9AWFM,V9WJR53ZWQSP,V9WVZL1VCUB7
• ChEMBL ID: CHEMBL1900528,CHEMBL4650755,CHEMBL3305968
• Mol file: 186691-13-4.mol

Synonyms:679 BR, BA;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-679 BR;BA679 BR;BR, BA 679;Bromide, Tiotropium;Spiriva;tiotropium;tiotropium bromide

Chemical Property of Tiotropium

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 392.09902553
• Heavy Atom Count: 26
• Complexity: 564

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Drug Classes: Anticholinergic Agents
• Canonical SMILES: C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C
• Isomeric SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C
• Recent ClinicalTrials: Bioequivalence Study of Tiotropium Bromide Inhalation Powder
• Recent EU Clinical Trials: A RANDOMIZED, DOUBLE-BLIND, PLACEBO-CONTROLLED CROSS-OVER STUDY FOR EVALUATION OF THE EFFICIENCY AND SAFETY OF TIOTROPIUM INHALATION SOLUTION (5 μG) VIA RESPIMAT? INHALER once a day for 24 weeks for children (6 to 12 years) with bronchopulmonary dysplasia
• Recent NIPH Clinical Trials: COPD-HF