cocaine (Erythroxyline) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

303.36

ALogP

1.87

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C
  • InChIKey: ZPUCINDJVBIVPJ-LJISPDSOSA-N
    InChI=1S/C17H21NO4/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/t12-,13+,14-,15+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL370805   ChEMBL
cocaine *

CHEMBL529437   ChEMBL
cocaine hydrochloride

I5Y540LHVR   NCATS
cocaine *

Cocaine   Wikipedia

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