Products 30269-52-4

CAS 30269-52-4 is the registry number for rac-Hyoscine Butylbromide (N-Butyl rac-Scopolamine Bromide, N-Butyl rac-Hyoscine Bromide). Offered by: Chemat Brand. Available pack sizes: on request.

rac-Hyoscine Butylbromide (N-Butyl rac-Scopolamine Bromide, N-Butyl rac-Hyoscine Bromide)
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

[(1S,2S,4R,5R)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate bromide (CAS 30269-52-4) is a chemical compound with the molecular formula C21H30BrNO4 and a molecular weight of 440.4 g/mol. IUPAC name: [(1S,2S,4R,5R)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate bromide. InChIKey: HOZOZZFCZRXYEK-HKNKBQAFSA-M.

Identity
Molecular formulaC21H30BrNO4
Molecular weight440.4 g/mol
IUPAC name[(1S,2S,4R,5R)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate bromide
InChIKeyHOZOZZFCZRXYEK-HKNKBQAFSA-M
SMILESCCCC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]

Computed by PubChem (NCBI)

Synonyms: Butylscopolamine bromide, Butylscopolaminbromid, (2'RS)-Hyoscine Butylbromide, Hyoscine Butylbromide Impurity 15
Related forms of this compound
[(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 C21H30BrNO4
[(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 C21H30BrNO4
Isomers (same molecular formula)
ditert-butyl (2S,4S)-4-[(3-bromophenyl)methyl]pyrrolidine-1,2-dicarboxylate C21H30BrNO4