Formula of Oxycodone (C18H21NO4)
Identification of Oxycodone Chemical Compound
| Chemical Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.36364 g/mol |
| IUPAC Name | (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-7,9,11(18)-trien-14-one |
| SMILES String | COc1ccc2CC4N(C)CCC35C(Oc1c23)C(=O)CCC45O |
| 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 |
| InChIKey | BRUQQQPBMZOVGD-XFKAJCMBSA-N |
Chemical Formula Description
The oxycodone molecule contains a total of 44 atom(s). There are 21 Hydrogen atom(s), 18 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s). A chemical formula of oxycodone can therefore be written as:
C18H21NO4
The chemical formula of oxycodone shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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Additional Information for Identifying Oxycodone Molecule
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Structure Data File (SDF/MOL File) of oxycodone
The structure data file (SDF/MOL File) of oxycodone is available for download in the SDF page of oxycodone providing the information about the atoms, bonds, connectivity and coordinates of oxycodone, which is not completely available in the chemical formula representation. The oxycodone structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of oxycodone
The chemical structure image of oxycodone is available in chemical structure page of oxycodone, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of oxycodone and the chemical bonds that hold the atoms together.
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Molecular weight of oxycodone
The molecular weight of oxycodone is available in molecular weight page of oxycodone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of oxycodone.
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InChI (IUPAC International Chemical Identifier) information of oxycodone
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of oxycodone is:
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
It can provide a standard way to encode the molecular information of oxycodone to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of oxycodone is:
InChIKey=BRUQQQPBMZOVGD-XFKAJCMBSA-N
The InChIKey may allow easier web searches for oxycodone, but it needs to be linked to the full InChI to get back to the original structure of the oxycodone since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of oxycodone
The oxycodone compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of oxycodone including the registry numbers is given below, if available:
- Oxycodonum [INN-Latin]
- Oxycodone [USAN:BAN:INN]
- Oxicodona [INN-Spanish]
- Oxanest
- Ossicodone [DCIT]
- Morphinan-6-one, 4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl- (8CI)
- 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)-
- Morphinan-6-one, 4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-
- Eubine [France]
- Endone
- Endine (Australia)
- DEA No. 9143
- 4,5alpha-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one
- 4,5-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one
- Dihydro-14-hydroxycodeinone
- (5alpha)-14-hydroxy-17-methyl-3-(methyloxy)-4,5-epoxymorphinan-6-one
- Codeinone, dihydrohydroxy-
- Tekodin (free base)
- Percobarb
- Oxycodon
- Oxycodeinone
- Oxicon
- Eucodalum
- Diphydrone
- Dihydroxycodeinone
- Dihydrone
- Dihydrohydroxycodeinone
- Oxycodone
- Codeinone, dihydro-14-hydroxy-
- Codeinone, 7,8-dihydro-14-hydroxy-
- 4aH-8,9c-Iminoethanophenanthro[4,5-bcd]furan-5(6H)-one, 7,7a,8,9-tetrahydro-7a-hydroxy-3-methoxy-12-methyl-
- 4,5.alpha.-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one
- 14-Hydroxydihydrocodeinone
- (-)-Oxycodone
- (-)-14-Hydroxydihydrocodeinone
- D05312
- Oxycodone (USAN)
- Supendol [Canada]
- Roxicet
- Pancodone retard (United Kingdom)
Oxycodone Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of oxycodone? |
|---|
| C18H21NO4 |
| How many atoms and what are they in the oxycodone structure? |
| 44 atom(s) - 21 Hydrogen atom(s), 18 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what are they in the oxycodone structure? |
| 48 bond(s) - 27 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 4 six-membered ring(s), 1 eight-membered ring(s), 3 nine-membered ring(s), 3 ten-membered ring(s), 3 eleven-membered ring(s), 1 twelve-membered ring(s), 1 ketone(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 1 hydroxyl group(s), 1 tertiary alcohol(s), and 2 ether(s) (aromatic) |
| What’s the molecular weight of oxycodone? |
| 315.36364 g/mol |
| What’s the SMILES string of oxycodone? |
| COc1ccc2CC4N(C)CCC35C(Oc1c23)C(=O)CCC45O |
| What’s the InChI of oxycodone? |
| 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 |
| What’s the InChIKey of oxycodone? |
| BRUQQQPBMZOVGD-XFKAJCMBSA-N |
1376
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).