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N-Butylscopolammonium Bromide

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For Research Use Only | Not For Clinical Use
CATAPS149644A
CAS149-64-4
Structure
IUPAC Name(1α,2β,4β,5α,7β)-9-Butyl-7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide
Molecular Weight440.37
Molecular FormulaC21H30NO4.Br
Canonical SMILES[Br-].CCCC[N@@+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4
InChIInChI=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
Accurate Mass439.1358
FormatNeat
ShippingRoom Temperature
Size5G
Storage Conditions-20°C
SubcategoryChiral molecules
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