SDF/Mol File of Oxycodone (C18H21NO4)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Oxycodone Molecule

• Chemical structure of oxycodone

  By visualizing the structure data file (SDF/MOL File) above, 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 and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of oxycodone

  The chemical 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.

• InChI (IUPAC International Chemical Identifier) information of oxycodone

  An alternative way of expressing structural information in text format 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.

• Other names (synonyms) or registry numbers of oxycodone

  The oxycodone compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of oxycodone including the registry numbers are listed 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)

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Oxycodone Identification Summary Frequently Asked Questions (FAQs)

What’s the oxycodone formula?
C18H21NO4
How many atoms and what elements are included 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 kind 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 oxycodone’s molar mass?
315.36364 g/mol
What’s the SMILES structure of oxycodone?
COc1ccc2CC4N(C)CCC35C(Oc1c23)C(=O)CCC45O
What’s the InChI code 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 format of oxycodone?
BRUQQQPBMZOVGD-XFKAJCMBSA-N

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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).