Nombre del analito

Allopseudococaine Hydrochloride

Número CAS

109582-53-8

Fórmula molecular

C17H22ClNO4

Peso molecular

339.81

Measured Value

1 mg/mL

Masa exacta

339.1237

SMILES

O=C(C1=CC=CC=C1)O[C@H]2[C@@H](C(OC)=O)[C@H]3CC[C@@H](C2)N3C.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-;/m0./s1

IUPAC

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

Alternar número CAS

Free compound: 518-97-8

País de origen

CANADA

Formato del producto

Single Solution

Matriz

Acetonitrile