Trantelinium bromide
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate bromide
Also Known As: Trantelinium bromide|Dexotropine|Gastrixon|Gastrixone|Trantelinium|Tranthelinium bromide|Trantelinii bromidum|Trantelinium bromide [INN]|Bromuro de trantelinio|Bromure de trantelinium|Trantelinii bromidum [INN-Latin]|KST-1A4811|N-640|8-Methyltropinium bromide xanthene-9-carboxylate|(1r,5s)-8,8-dimethyl-3-[(9h-xanthen-9-ylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide|3-alpha-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide xanthene-9-carboxylate|8-Azoniabicyclo(3.2.1)octane, 8,8-dimethyl-3-((9H-xanthen-9-ylcarbonyl)oxy)-, bromide, endo-|endo-8,8-Dimethyl-3-((9H-xanthen-9-ylcarbonyl)oxy)-8-azoniabicyclo(3.2.1)octane, bromide|1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-methyl-, bromide, xanthene-9-carboxylate|1.alpha.H,5.alpha.H-Tropanium, 3.alpha.-hydroxy-8-methyl-, bromide, xanthene-9-carboxylate|[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate bromide|[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate;bromide|8-Azoniabicyclo[3.2.1]octane, 8,8-dimethyl-3-[(9H-xanthen-9-ylcarbonyl)oxy]-, bromide, endo-
| Molecular Formula | C23H26BrNO3 |
|---|---|
| Molecular Weight | 443.10962 g/mol |
| LogP | 1.24 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 443.10962 |
| Heavy Atoms | 28 |
| Complexity | 835.4 |
Chemical Identifiers
| CAS Number | 4047-34-1 |
|---|---|
| SMILES | C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C.[Br-] |
Product Overview
Trantelinium bromide (CAS 4047-34-1), with molecular formula C23H26BrNO3 and molecular weight 443.10962 g/mol. IUPAC: [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate bromide.
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