Analyte Name

2'-Acetoxycocaine Hydrochloride

CAS Number

197771-75-8

Molecular Formula

C19H24ClNO6

Molecular Weight

397.85

Accurate Mass

397.13

SMILES

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

InChI

InChI=1S/C19H23NO6.ClH/c1-11(21)25-15-7-5-4-6-13(15)18(22)26-16-10-12-8-9-14(20(12)2)17(16)19(23)24-3;/h4-7,12,14,16-17H,8-10H2,1-3H3;1H/t12-,14+,16-,17+;/m0./s1

IUPAC

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

Alternate CAS Number

192648-66-1 free base

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule

Product Format

Neat