N-Butylscopolammonium Bromide
[(1R,2R,4S,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide
Molecular Identity
N-Butylscopolammonium Bromide
[(1R,2R,4S,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide
PubChem CID: 6852391
Butylscopolamine bromide is an organic bromide salt of butylscopolamine. It is an antispasmodic drug which can relieve painful stomach cramps (including those linked with irritable bowel syndrome), bladder and menstrual cramps. It has a role as a muscarinic antagonist and an antispasmodic drug. It is a quaternary ammonium salt and an organic bromide salt. It contains a butylscopolamine.
2D Structure
Properties
C21H30BrNO4
Molecular Formula
440.40
Molecular Weight
g/mol
439.1358
Exact Mass
Da
59.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
500
Complexity
SMILES
Canonical SMILES
SMILES: CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]Isomeric SMILES
SMILES: CCCC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]Synonyms(20)
N-Butylscopolammonium bromideRefChem:55683Buscopan Injectable Solutionscopolamine butylbromide149-64-4Hyoscine butylbromideBuscopanScobutilScopolanSporaminBuscolysinAmisepanBuscapinaBuscapineButylmin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to N-Butylscopolammonium Bromide
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