Structure & Deep Data 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 Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The oxycodone molecule contains a total of 48 bond(s). There are 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). Images of the chemical structure of oxycodone are given below:
The 2D chemical structure image of oxycodone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of oxycodone are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of oxycodone is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of oxycodone. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of oxycodone is provided here.
The oxycodone molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the oxycodone molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of oxycodone can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying Oxycodone Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of oxycodone
The SMILES string of oxycodone is COc1ccc2CC4N(C)CCC35C(Oc1c23)C(=O)CCC45O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the oxycodone.
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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, which provides the information about the atoms, bonds, connectivity and coordinates of oxycodone. The oxycodone structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of oxycodone
The molecular formula of oxycodone is available in chemical formula page of oxycodone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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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 in the molecular formula.
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Other names (synonyms) or registry numbers of oxycodone
The oxycodone compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of oxycodone including the various registry numbers, 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 the elements included the oxycodone molecule? |
| 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 kind of bonds are included 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 oxycodone’s molecular weight? |
| 315.36364 g/mol |
| What’s the SMILES code of oxycodone? |
| COc1ccc2CC4N(C)CCC35C(Oc1c23)C(=O)CCC45O |
| What’s the InChI string 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 code of oxycodone? |
| BRUQQQPBMZOVGD-XFKAJCMBSA-N |
3055
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).