CAS No. 92714-23-3

Description:
A metabolite of N-Butylscopolammonium bromide. N-Butylscopolammonium bromide is a medication used to treat crampy abdominal pain, esophageal spasms, renal colic, and bladder spasms.

• Molecular Weight: 422.4
• Molecular Formula: C21H28NO3. Br

Purity: > 95%

Canonical SMILES:
CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4)C.[Br-]

InChI:
InChI=1S/C21H28NO3.BrH/c1-4-5-11-22(3)17-12-16(13-18(22)20-19(17)25-20)24-21(23)14(2)15-9-7-6-8-10-15;/h6-10,16-20H,2,4-5,11-13H2,1,3H3;1H/q+1;/p-1

InChIKey: PKUGCYLBJGJIHK-UHFFFAOYSA-MSynonyms:
(1α,2β,4β,5α,7β)-9-Butyl-9-methyl-7-[(1-oxo-2-phenyl-2-propenyl)oxy]-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide; 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane Deriv.; Apobuscopan

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