Heteronium bromide

Base Information

• Chemical Name: Heteronium bromide
• CAS No.: 7247-57-6
• Deprecated CAS: 1042-00-8
• Molecular Formula: C18H22 N O3 S . Br
• Molecular Weight: 0
• UNII: B41610WX8O
• DSSTox Substance ID: DTXSID20993288
• Wikidata: Q27274331
• NCI Thesaurus Code: C174630
• ChEMBL ID: CHEMBL2106335
• Mol file: 7247-57-6.mol

Synonyms:heteronium;heteronium bromide

Chemical Property of Heteronium bromide

Chemical Property:

• PSA: 74.77000
• LogP: -0.66130
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 411.05038
• Heavy Atom Count: 24
• Complexity: 436

Purity/Quality:

97% ^*data from raw suppliers

HETERONIUMBROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O)C.[Br-]
• Therapeutic Function: Anticholinergic