Cocaine

cas: 50-36-2 — see every product listed under this CAS number, including other names

Cocaine (CAS 50-36-2) is a chemical reagent available from Chemat. Available pack sizes: 50mg, 100mg, 10mg. Offered by: Lipomed, LoGiCal.

brandLipomed
catalog numberLPM-COC-156-FB-50
cas50-36-2
size50mg
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Available pack sizes

brand size price
Lipomed 50mg price on request
Lipomed 100mg price on request
Lipomed 10mg price on request
LoGiCal 10mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Cocaine is a tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. It has a role as a central nervous system stimulant, a sympathomimetic agent, an adrenergic uptake inhibitor, a xenobiotic, a local anaesthetic, a sodium channel blocker, a vasoconstrictor agent, a serotonin uptake inhibitor, a dopamine uptake inhibitor, a mouse metabolite, a plant metabolite and an environmental contaminant. It is a methyl ester, a benzoate ester, a tropane alkaloid and a tertiary amino compound. It is a conjugate base of a cocaine(1+).

Source: ChEBI

Identity
Molecular formulaC17H21NO4
Molecular weight303.35 g/mol
IUPAC namemethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
InChIKeyZPUCINDJVBIVPJ-LJISPDSOSA-N
SMILESCN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC

Computed by PubChem (NCBI)

Synonyms: cocaine, Benzoylmethylecgonine, Neurocaine, L-Cocaine, Kokain, Cocain, (-)-Cocaine, Cocaina, beta-Cocain, Methyl Benzoylecgonine
Related forms of this compound
methyl (1R,2R,3S,5S)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate C17H21NO4
Isomers (same molecular formula)
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate C17H21NO4
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]butanoic acid C17H21NO4
benzyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate C17H21NO4
benzyl 4-[(E)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate C17H21NO4
4-(phenylmethoxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylic acid C17H21NO4
1-(2-methoxyethyl)-5-(4-methoxyphenyl)-2,4-dimethylpyrrole-3-carboxylic acid C17H21NO4
tert-butyl 6-acetylspiro[1H-2-benzofuran-3,3'-azetidine]-1'-carboxylate C17H21NO4
7-phenylmethoxycarbonyl-7-azaspiro[3.5]nonane-2-carboxylic acid C17H21NO4
2-(1,8-diethyl-6-hydroxy-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid C17H21NO4
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol C17H21NO4
5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]benzene-1,3-diol C17H21NO4

Also listed as

L-Cocaine (1.0 mg/ml in Methanol) TRC CAS 50-36-2
L-Cocaine, >95% (HPLC) TRC CAS 50-36-2
Cocaine 0.1 mg/ml in Acetonitrile LoGiCal CAS 50-36-2
Cocaine 1.0 mg/ml in Acetonitrile LoGiCal CAS 50-36-2
Cocaine, 1mg/ml in Acetonitrile Lipomed CAS 50-36-2