oxycodone   Click here for help

GtoPdb Ligand ID: 7093

Synonyms: oxycodone hydrochloride | Roxicodone®
Approved drug
oxycodone is an approved drug (FDA (1998))
Comment: Oxycodone is an opioid drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 59
Molecular weight 315.15
XLogP 0.01
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c3c1OC1C43CCN(C(C2)C4(O)CCC1=O)C
Isomeric SMILES COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)CCC1=O)C
InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
InChI Key BRUQQQPBMZOVGD-XFKAJCMBSA-N
Classification Click here for help
Compound class Natural product or derivative
Approved drug? Yes (FDA (1998))
IUPAC Name Click here for help
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
International Nonproprietary Names Click here for help
INN number INN
1701 oxycodone
Synonyms Click here for help
oxycodone hydrochloride | Roxicodone®
Database Links Click here for help
CAS Registry No. 76-42-6
ChEBI CHEBI:7852
ChEMBL Ligand CHEMBL656
DrugBank Ligand DB00497
DrugCentral Ligand 2029
GtoPdb PubChem SID 178103671
PubChem CID 5284603
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Wikipedia Oxycodone