Hyoscine Butylbromide EP Impurity D (Mixture of Diastereomers)

An impurity of N-Butylscopolammonium bromide. N-Butylscopolammonium bromide is a medication used to treat crampy abdominal pain, esophageal spasms, renal colic, and bladder spasms.

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Catalog

BRP-02099

Synonyms

(1R,2R,4S,5S,7s,9R)-7-(((S)-3-Hydroxy-2-phenylpropanoyl)oxy)-9-methyl-9-propyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium Bromide; N-Desbutyl-N-propylscopolammonium Bromide; Propylhyoscine bromide

IUPAC Name

(1R,2R,4S,5S,7s,9r)-7-[[(2S)-3-hydroxy-2-phenylpropanoyl]oxy]-9-methyl-9-propyl-3-oxa-9-azatricyclo-[3.3.1.02,4]nonan-9-ium;bromide

Molecular Weight

426.34

Molecular Formula

C20H28BrNO4

Canonical SMILES

[Br-].O=C(OC1CC2C3OC3C(C1)[N+]2(C)CCC)C(C=4C=CC=CC4)CO

InChI

InChI=1S/C20H28NO4.BrH/c1-3-9-21(2)16-10-14(11-17(21)19-18(16)25-19)24-20(23)15(12-22)13-7-5-4-6-8-13;/h4-8,14-19,22H,3,9-12H2,1-2H3;1H/q+1;/p-1/t14-,15-,16-,17+,18-,19+,21-;/m1./s1

InChIKey

VNEJWHMBKUADHR-VBWVNCBSSA-M

Purity

>95%

Chemical Structure: