m-Hydroxycocaine (1.0 mg/mL in Methanol)

Analyte Name

m-Hydroxycocaine

CAS Number

71387-58-1

Molecular Formula

C17 H21 N O5

Molecular Weight

319.35

Measured Value

1.0 mg/mL

Accurate Mass

319.142

SMILES

COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3cccc(O)c3

InChI

InChI=1S/C17H21NO5/c1-18-11-6-7-13(18)15(17(21)22-2)14(9-11)23-16(20)10-4-3-5-12(19)8-10/h3-5,8,11,13-15,19H,6-7,9H2,1-2H3/t11-,13+,14-,15+/m0/s1

IUPAC

methyl (1S,3S,4R,5R)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Mixture

Matrix

Methanol