Analyte Name

(+)-Pseudococaine Hydrochloride

CAS Number

112547-19-0

Molecular Formula

C17H22ClNO4

Molecular Weight

339.81

Accurate Mass

339.12

SMILES

COC([C@@H]1[C@@]2([H])N([C@@](CC2)([H])C[C@H]1OC(C3=CC=CC=C3)=O)C)=O.Cl

InChI

InChI=1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15-;/m1./s1

IUPAC

methyl (1S,2R,3R,5R)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat