Codeine
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Molecular Identity
Codeine
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
PubChem CID: 5284371
Codeine is a morphinane alkaloid found in the opium poppy, Papaver somniferum var. album; has analgesic, anti-tussive and anti-diarrhoeal properties. It has a role as an opioid analgesic, a xenobiotic, a prodrug, an antitussive, an opioid receptor agonist, an environmental contaminant and a drug allergen. It is a morphinane alkaloid and an organic heteropentacyclic compound. It is functionally related to a morphine. It is a conjugate base of a codeine(1+).
2D Structure
Properties
C18H21NO3
Molecular Formula
299.40
Molecular Weight
g/mol
299.1521
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
41.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
509
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)OIsomeric SMILES
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)OSynonyms(20)
codeineMethylmorphineCodiceptCodeine anhydrous76-57-3Coduceptl-CodeineMorphine monomethyl ether(-)-CodeineO3-MethylmorphinecodeinumCODEINE BASEMorphine 3-methyl etherNorcodine, N-methylNorcodeine, N-methyl
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Codeine
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