Molecule: cocaine
A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.
Synonyms for cocaine :
(-)-cocaine
2-methyl-3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester)
Benzoylmethylecgonine
COCAINE
Cocain
Cocaina
Cocaine
Kokain
Neurocaine
[1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid, methyl ester
beta-Cocain
cocainum
l-Cocain
l-cocaine
methyl [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
methyl benzoylecgonine
Molecular Formula: C17H21NO4
Molecular wt: 303.35290 g/mole
Charge: 0
SMILES: [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C
InChIKey: ZPUCINDJVBIVPJ-LJISPDSOSA-N
InChI=1S/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
Sample reactions for this molecule: