Analyte Name

2'-Hydroxycocaine-d3 hydrochloride

Molecular Formula

C17H18D3NO5.HCl

Molecular Weight

358.83

Accurate Mass

358.14

SMILES

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

InChI

InChI=1S/C17H21NO5.ClH/c1-18-10-7-8-12(18)15(17(21)22-2)14(9-10)23-16(20)11-5-3-4-6-13(11)19;/h3-6,10,12,14-15,19H,7-9H2,1-2H3;1H/t10-,12+,14-,15+;/m0./s1/i1D3;

IUPAC

methyl (1R,2R,3S,5S)-3-((2-hydroxybenzoyl)oxy)-8-(methyl-d3)-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride

Unlabelled CAS Number

197771-76-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat