Compound: oxycodone
SMILES: O=C1[C@@H]2Oc3c(OC)ccc4c3[C@]25[C@](O)([C@H](N(C)CC5)C4)CC1
InChIKey: BRUQQQPBMZOVGD-XFKAJCMBSA-N
Synonyms: oxycodone, Dihydrone, Dihydrohydroxycodeinone, Dihydroxycodeinone, Diphydrone, 76-42-6, Oxicodona, Endone, Oxanest, (-)-14-Hydroxydihydrocodeinone, Dihydro-14-hydroxycodeinone, Oxycodonum, Xtampza, Remoxy, 14-Hydroxydihydrocodeinone, OxyIR, Endine (Australia), Xtampza ER, Eubine [France], Supendol [Canada], (-)-Oxycodone, Codeinone, dihydrohydroxy-, Pavinal, PTI-821, Oxycodone cii, 4,5alpha-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one, Codeinone, dihydro-14-hydroxy-, oxymorphone 3-methyl ether, Pancodone retard (United Kingdom), NSC-19043, 4,5-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one, Pti 821, PF-00345439, Codeinone, 7,8-dihydro-14-hydroxy-, CD35PMG570, CHEBI:7852, IDS-NO-002, N02AA05, DTXSID5023407, Eubine (France), Morphinan-6-one, 4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5alpha)-, NSC19043, Supendol (Canada), Oxycodeinon, Oxycone, (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one, oxicodone, Proladone, Oxycodone SR, (1S,5R,13R,17S)-17-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo(9.6.1.0^(1,13).0^(5,17).0^(7,18))octadeca-7(18),8,10-trien-14-one, (1S,5R,13R,17S)-17-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one, (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinolin-7-one, (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, (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, RefChem:6478, DTXCID903407, thecodinum (for the hydrochloride), (1S,5R,13R,17S)-17-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo(9.6.1.01,13.05,17.07,18)octadeca-7(18),8,10-trien-14-one, 200-960-2, Oxycodeinone, Oxycodon, Oxicon, Eucodalum, Percobarb, Oxycontin, Oxycodonum [INN-Latin], Oxicodona [INN-Spanish], Oxicone, DEA No. 9143, Oxyfast, Supendol, Tekodin (free base), Ossicodone [DCIT], Ossicodone, NSC 19043, Oxycodone [USAN:INN:BAN], Dihydrohydroxycondeinone, Avridi, Oxyneo, 14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one, Pancodone Retard, Apo-oxycodone CR, CHEMBL656, HSDB 3142, Oxycodone (USAN/INN), EINECS 200-960-2, BRN 0043446, UNII-CD35PMG570, 4,5.alpha.-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one, Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5.alpha.)-, OOX, OXYCODONE [INN], 14-hydroxy-3-methoxy-17-methyl-4,5alpha-epoxymorphinan-6-one, OXYCODONE [MI], OXYCODONE [HSDB], OXYCODONE [USAN], OXYCODONE [VANDF], OXYCODONE [MART.], OXYCODONE [WHO-DD], SCHEMBL2737, Epitope ID:2270539, 14-cis-Hydroxydihydrocodeinone, GTPL7093, PF06, OXYCODONE [ORANGE BOOK], OXYCODONE CII [USP-RS], SCHEMBL29391732, Codeinone,8-dihydro-14-hydroxy-, Oxycodone 0.1 mg/ml in Methanol, Oxycodone 1.0 mg/ml in Methanol, BDBM50370595, Morphinan-6-one, 4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5alpha)-14-hydroxy-17-methyl-3-(methyloxy)-4,5-epoxymorphinan-6-one, DB00497, AC-16043, DB-243425, C08018, D05312, Q407535, 14-Hydroxy-3-methoxy-17-methyl-5alpha-4,5-epoxymorphinan-6-one, Morphinan-6-one,5.alpha.-epoxy-14-hydroxy-3-methoxy-17-methyl-, HYDROCODONE HYDROGEN TARTRATE 2.5-HYDRATE IMPURITY D [EP IMPURITY], Morphinan-6-one,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5.alpha.)-, WLN: T B6566 B6/CO 4ABBC R BX FV HO PN GHT&&TTJ CQ JO1 P1, (5.ALPHA.)-4,5-EPOXY-14-HYDROXY-3-METHOXY-17-METHYLMORPHINAN-6-ONE, 4aH-8,5-bcd]furan-5(6H)-one, 7,7a,8,9-tetrahydro-7a-hydroxy-3-methoxy-12-methyl-
Theoretical properties:
molecular_formula: C18H21NO4
molecular_weight: 315.4 g/mol
exact_mass: 315.14705815 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 1
heavy_atom_count: 23
topological_polar_surface_area: 59 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Rods from ethanol
color: Rods from ethanol
solubility: 166mg/mL
Descriptions:
{"pubchem": "Oxycodone is a semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain. It has a role as an opioid analgesic, an antitussive and a mu-opioid receptor agonist. It is an organic heteropentacyclic compound and a semisynthetic derivative. It is functionally related to a thebaine. It is a conjugate base of an oxycodone(1+). It derives from a hydride of a morphinan.", "chebi": "A semisynthetic opioid of formula C<small><sub>18</sub></small>H<small><sub>21</sub></small>NO<small><sub>4</sub></small> that is derived from thebaine.  It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain.", "chembl": "OXYCODONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Oxycodone, sold under the brand names Endone and OxyContin (which is the extended-release form) among others, is a semi-synthetic opioid used medically for the treatment of moderate to severe pain. It is a highly addictive and commonly abused drug. It is usually taken orally, and is available in immediate-release and controlled-release formulations. Onset of pain relief typically begins within fifteen minutes and lasts for up to six hours with the immediate-release formulation. In the United Kingdom, it is available by injection. Combination products are also available with paracetamol (acetaminophen), ibuprofen, naloxone, naltrexone, and aspirin.\nCommon side effects include euphoria, constipation, nausea, vomiting, loss of appetite, drowsiness, dizziness, itching, dry mouth, and sweating. Side effects may also include addiction and dependence, substance abuse, irritability, depression or mania, delirium, hallucinations, hypoventilation, gastroparesis, bradycardia, and hypotension. Those allergic to codeine may also be allergic to oxycodone. Opioid withdrawal may occur if rapidly stopped. Oxycodone acts by activating the \u03bc-opioid receptor. When taken by mouth, it has roughly 1.5 times the effect of the equivalent amount of morphine.\nOxycodone was originally produced from the opium poppy opiate alkaloid thebaine in 1916 in Germany. One year later, it was used medically for the first time in Germany. Oxycodone is a therapeutic alternative on the World Health Organization's List of Essential Medicines. It is available as a generic medication. In 2023, it was the 49th most commonly prescribed medication in the United States, with more than 13 million prescriptions. A number of abuse-deterrent formulations are available, such as in combination with naloxone or naltrexone."}