p-Hydroxycocaine Hydrochloride (100 ug/mL in Methanol)

Analyte Name

p-Hydroxycocaine Hydrochloride

CAS Number

197771-77-0

Molecular Formula

C17H21NO5.HCl

Molecular Weight

355.81

Measured Value

100 μg/mL

Accurate Mass

355.12

SMILES

O=C(C1=CC=C(O)C=C1)O[C@@H]2[C@H](C(OC)=O)[C@H]3CC[C@@H](C2)N3C.Cl

InChI

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

IUPAC

methyl (1R,2R,3S,5S)-3-((4-hydroxybenzoyl)oxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride

Alternate CAS Number

Free Base: 89339-16-2

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Methanol