Molecular Weight 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 |
Molecular Weight Description
The oxycodone molecule consists of 21 Hydrogen atom(s), 18 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s) - a total of 44 atom(s). The molecular weight of oxycodone is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 315.36364 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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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, which provides the information on atoms, bonds, connectivity and coordinates of oxycodone. The oxycodone structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of oxycodone
The molecular structure image of oxycodone is available in chemical structure page of oxycodone, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in oxycodone and the chemical bonds that hold the atoms together.
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Chemical formula of oxycodone
The molecular formula of oxycodone is given 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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InChI (IUPAC International Chemical Identifier) information of oxycodone
In addition to the molecular weight information, the structural information of oxycodone in a textual expression is available via InChi. The full standard InChI of oxycodone is given below:
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 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
It may allow easier web searches for oxycodone. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the oxycodone as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of oxycodone
There may be different names of the oxycodone compound depending on the various situations of industrial applications, which are given below including the 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 formula of oxycodone? |
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C18H21NO4 |
How many atoms and what are the elements in 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 types of bonds are 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 molar mass of oxycodone? |
315.36364 g/mol |
What’s the SMILES format of oxycodone? |
COc1ccc2CC4N(C)CCC35C(Oc1c23)C(=O)CCC45O |
What’s the InChI format 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 string of oxycodone? |
BRUQQQPBMZOVGD-XFKAJCMBSA-N |
1012
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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).