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N-Butylscopolammonium Bromide-[d9]

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General Information
Catalog: BLP-006052
Molecular Formula: C21H21D9BrNO4
Molecular Weight: 449.43

Chemical Structure

Description	N-Butylscopolammonium Bromide-[d9] is the labelled analogue of N-Butylscopolammonium Bromide, which is a muscarinic antagonist and an antispasmodic drug.
Synonyms	N-Butylscopolammonium Bromide D9; Hyoscine Butylbromide-d9; (S)-(1α,2β,4β,5α,7β)]-9-Butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide-d9; (-)-Scopolamine Butylbromide-d9; Amisepan-d9; Buscopan-d9; Stibron-d9; Tirantil-d9
IUPAC Name	[(1S,2S,4R,5R)-9-methyl-9-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;bromide
Related CAS	149-64-4 (unlabelled)
Canonical SMILES	CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]
InChI	InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15?,16-,17-,18+,19-,20+,22?;/m1./s1/i1D3,3D2,4D2,10D2;
InChI Key	HOZOZZFCZRXYEK-GZZKIYEGSA-M
Purity	≥95%; ≥99% atom D
Solubility	Slightly soluble in DMSO, Water (Sonicated)
Appearance	White to Off-white Solid
Storage	Store at-20°C under inert atmosphere