Cocaine & Benzoylecgonine
PubChem Notes:
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
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