Identification

Numero CAS

50-36-2

Nom scientifique (FR)

Cocaïne

Nom scientifique (EN)

methyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Autres dénominations scientifiques (Autre langues)

(-)-Cocaine ; (1R,2R,3s,5S)-2-Methoxycarbonyltropan-3-yl benzoate ; 1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate ; 1-Cocaine ; 2-beta-Carbomethoxy-3-beta-benzoxytropane ; 2-beta-Tropanecarboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate (ester) ; 3-(Benzoyloxy)-8-methyl-8-azabicyclo-(3.2.1)octane-2-carboxylic acid methyl ether ; 3-Tropanylbenzoate-2-carboxylic acid methyl ester ; 3beta-Hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylic acid methyl ester benzoate ; 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R-exo,exo))- ; Ecgonine methyl ester benzoate ; L-Cocaine ; Methyl 3-beta-hydroxy-1-alpha-H,5-alpha-H-tropane-2-beta-carboxylate benzoate (ester) ; Methyl Benzoylecgonine

Code EC

-

Code SANDRE

-

Number CIPAC

-

Formule chimique brute

\(\ce{ C17H21NO4 }\)

Code InChlKey

ZPUCINDJVBIVPJ-LJISPDSOSA-N

Code SMILES

COC(=O)C1C(CC2CCC1N2C)OC(=O)c3ccccc3

Parameters table

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Coefficient de partage octanol/eau (Log Kow) 2.3 - Expérimentation EPA
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Bibliography

Matrixes

Terrestrial environment

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Coefficient de partage carbone organique/Eau (Koc) 795.2 L.kg-1 Calcul EPA
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Bioaccumulation

Aquatic organisms

Organismes aquatiques
ineris name Specie Value Trofic level Taxon Matrix Life stage Effect Detailed effect Duration of exposure ineris method Guideline Commentary Source
Bioaccumulation BCF 15.29 - Calcul EPA
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