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Chemical data

Formula

C21H30BrNO4

Molecular weight

440.4 g/mol

IUPAC name

[(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

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-]

InChIKey

HOZOZZFCZRXYEK-HNHWXVNLSA-M

Polar surface area

59.1 Ų

H-bond donors

1

H-bond acceptors

5

Formal charge

0

via PubChem

• Hyoscine butylbromide: a review of its use in the treatment of abdominal cramping and pain.