Analyte Name

9S-Hyoscine Butylbromide

CAS Number

150521-10-1

Molecular Formula

C21H30NO4.Br

Molecular Weight

440.37

Accurate Mass

439.1358

SMILES

O=C(O[C@@H]1C[C@H]([C@H]2O[C@H]2[C@@H]3C1)[N@+]3(CCCC)C)[C@@H](C4=CC=CC=C4)CO.[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

IUPAC

[(1R,2R,4S,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenyl-propanoate bromide

Country of Origin

CANADA

Product Format

Neat

API Family

Hyoscine Hydrobromide (Scopolamine Hydrobromide)