Tiotropium bromide monohydrate

Base Information

• Chemical Name: Tiotropium bromide monohydrate
• CAS No.: 411207-31-3
• Molecular Formula: C19H24BrNO5S2
• Molecular Weight: 490.439
• European Community (EC) Number: 629-840-1,690-508-4
• UNII: L64SXO195N
• ChEMBL ID: CHEMBL3545181
• DSSTox Substance ID: DTXSID30904820
• NCI Thesaurus Code: C61974
• RXCUI: 1298831
• Wikidata: Q27114833
• Mol file: 411207-31-3.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 bromide monohydrate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 124.77000
• Density: g/cm³
• LogP: -0.75580
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 489.02793
• Heavy Atom Count: 28
• Complexity: 564

Purity/Quality:

99% ^*data from raw suppliers

Tiotropium Bromide Monohydrate Pharmaceutical Secondary Standard; Certified Reference Material ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.O.[Br-]
• 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.O.[Br-]
• Recent ClinicalTrials: ANTES B+ Clinical Trial
• Recent EU Clinical Trials: A prospective multicenter placebo-controlled trial to study the efficacy and safety of Tiotropium in preventing severe asthma exacerbations in partial and uncontrolled preschool asthma. TIPP-Study
• Uses: Tiotropium Bromide Monohydrate is a related compound of Tiotropium Bromide (T444850). Tiotropium Bromide is a muscarinic receptor antagonist. Bronchodilator.

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