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-RWXTUVLLBM
SMILES: CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl

Names:
    Cocaine chloride
    Cocaine hydrochloride [JAN]
    COCAINE HYDROCHLORIDE
    Cocaine muriate
    Cocain-chlorhydrat [German]
    EINECS 200-167-1
    l-Cocaine hydrochloride
    methyl (1R,2R,3S,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride
    NSC 25263
    Sal de merck
    1alpha-H,5alpha-H-Tropane-2beta-carboxylic acid, 3beta-hydroxy-,

Registries:
    ChemSpider: InChIKey=PIQVDUKEQYOJNR-RWXTUVLLBM
    PubChem CID 5871
    PubChem ID 148676


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