Methyl Benzoylecgonine

[(Science: drug) drug of abuse and psychostimulant that acts to increase extraneuronal dopamine in midbrain by binding to the dopamine uptake transporter and hence inhibiting dopamine reuptake at the plasma membrane.

[1. a crystalline alkaloid obtained from the leaves of Erythroxylon coca (family Erythroxylaceae) and other species of Erythroxylon, or by synthesis from ecgonine or its derivatives; a potent central nervous system stimulant, vasoconstrictor, and topical anesthetic, widely abused as a euphoriant and associated with the risk of severe adverse physical and mental effects.

InChI: InChI=1/C17H21NO4/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/t12-,13+,14-,15+/m0/s1

InChIKey: InChIKey=ZPUCINDJVBIVPJ-LJISPDSOBK
SMILES: [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c3ccccc3)C(=O)OC)N2C

CAS number 50-36-2

Names:
    beta-Cocain
    Cocaine
    COCAINE
    cocaine
    l-Cocain
    L-Cocaine
    Methyl Benzoylecgonine
    methyl [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
    2-Methyl-3β-hydroxy-1αH,5αH-tropane-2β-carboxylate benzoate (ester)
    8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1R-(exo,exo)]-

Registries:
    PubChem CID 5760
    CAS 50-36-2 (from NIST)
    ChEBI 27958
    chemPDB COC
    Kegg C01416
    PubChem ID 4603