Sal de merck

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.



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Molecular Formula: C17H22ClNO4


InChI: InChI=1/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+;/m1./s1

InChIKey: InChIKey=PIQVDUKEQYOJNR-KOVRDVONBL
SMILES: CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl

Names:
    Cocaine chloride
    COCAINE HYDROCHLORIDE
    Cocaine muriate
    cocaine
    Ecgonine methyl ester benzoate hydrochloride
    l-Cocaine hydrochloride
    MCV 4526
    methyl (1S,2S,3R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride
    Sal de merck
    (-)-Cocaine hydrochloride
    1alpha-H,5alpha-H-Tropane-2beta-carboxylic acid, 3beta-hydroxy-,

Registries:
    ChemSpider: InChIKey=PIQVDUKEQYOJNR-KOVRDVONBL
    PubChem CID 644270
    PubChem ID 841960


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