Flutropium bromide

Base Information

• Chemical Name: Flutropium bromide
• CAS No.: 63516-07-4
• Molecular Formula: C24H29BrFNO3
• Molecular Weight: 496.47
• UNII: K3V6HB0M57
• DSSTox Substance ID: DTXSID3048655
• Wikidata: Q27281914
• NCI Thesaurus Code: C80960
• Mol file: 63516-07-4.mol

Synonyms:8-(2-fluoroethyl)-3 alpha-hydroxy-1 alpha H,5 alpha H-tropanium bromide benzilate;Ba 598;Ba-598Br;flutropium bromide

Chemical Property of Flutropium bromide

Chemical Property:

• Melting Point: 192-193° (dec); mp 198-199° (dec)
• PSA: 46.53000
• LogP: 0.53800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 477.13148
• Heavy Atom Count: 30
• Complexity: 539

Purity/Quality:

99% ^*data from raw suppliers

FLUBRON 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCF.[Br-]
• Isomeric SMILES: C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCF.[Br-]
• Description: Flutropium bromide is an antitussive useful in the treatment of allergic rhinitis and in the symptomatic relief of bronchial asthma and chronic bronchitis. Recent studies suggest that flutropium bromide may have potential as a long-acting alternative to P-sympathomimetics or the xanthines in the prophylaxis of obstructive airways disease.