Cocaine & Benzoylecgonine

Cocaine An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.

Molecular Formula: C₃₃H₄₀N₂O₈

InChI: InChI=1/C17H21NO4.C16H19NO4/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;1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h3-7,12-15H,8-10H2,1-2H3;2-6,11-14H,7-9H2,1H3,(H,18,19)/t12?,13?,14-,15+;/m0./s1/f/h;18H

InChIKey: InChIKey=LKRXSVLFDHJDLD-KFISXQMMDG
SMILES: CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O.CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC

Names:
    AIDS-154467
    AIDS154467
    Cocaine & Benzoylecgonine
    3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid; methyl (2R,3S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
    50-36-2
    519-09-5
    8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (2R,3S)-, compd. with 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl- (1:1)

Registries:
    PubChem CID 497303
    PubChem ID 793541