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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP078487

Cocaine

Formula: C17H21NO4  |  Mol. Weight: 303.35 g/mol

IUPAC: methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

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Overview

Molecular Formula C17H21NO4
Molecular Weight 303.35 g/mol
Canonical SMILES CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy

Therapeutics & Targets

Disease Associations