Analyte Name

(S)-Desmethyl Buscopan

Molecular Formula

C20H27NO4

Molecular Weight

345.44

Accurate Mass

345.19

SMILES

OC[C@@H](C(O[C@H]1C[C@@]([C@@]2([H])[C@@]([C@@]3([H])C1)(O2)[H])(N3CCCC)[H])=O)C4=CC=CC=C4

InChI

InChI=1S/C20H27NO4/c1-2-3-9-21-16-10-14(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,2-3,9-12H2,1H3/t14-,15-,16-,17+,18-,19+/m1/s1

IUPAC

(1R,2R,4S,5S,7s)-9-butyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (S)-3-hydroxy-2-phenylpropanoate

Alternate CAS Number

14861-14-4

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat