cocaine
methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Identity
cocaine
methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID: 446220
Cocaine can cause developmental toxicity and female reproductive toxicity according to an independent committee of scientific and health experts.
2D Structure
Properties
C17H21NO4
Molecular Formula
303.35
Molecular Weight
g/mol
303.1471
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
55.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
432
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
cocaineBenzoylmethylecgonineNeurocaineL-CocaineKokainCocain(-)-CocaineCocainabeta-CocaincocainumMethyl Benzoylecgoninel-CocainEritroxilinaErytroxylinBernies
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to cocaine
Loading drug network...