Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0NW3Z
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| Former ID |
DNC011093
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| Drug Name |
COCAINE.HCL
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| Synonyms |
Cocaine muriate; Cocaine chloride; Sal de merck; l-Cocaine hydrochloride; Cocain-chlorhydrat [German]; EINECS 200-167-1; Cocaine hydrochloride [JAN]; 1alpha-H,5alpha-H-Tropane-2beta-carboxylic acid, 3beta-hydroxy-,; Methyl 3beta-hydroxy-1alphaH,5alphaH-tropan-2beta-carboxylate, benzoate (ester) hydrochloride; Methyl 3-beta-hydroxy-1-alpha-H,5-alpha-H-tropan-2-beta-carboxylate, benzoate (ester) HCl; 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, hydrochloride, (1R-(exo,exo))-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C17H22ClNO4
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| Canonical SMILES |
CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl
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| InChI |
1S/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
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| InChIKey |
PIQVDUKEQYOJNR-RWXTUVLLSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and pharmacology of site-specific cocaine abuse treatment agents: restricted rotation analogues of methylphenidate. J Med Chem. 2007 May 31;50(11):2718-31. | |||
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