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Oxycodone

CAT: 0926-FO32141-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FO32141-01Size:100 mg
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CAS Number
76-42-6
MDL Number
MFCD00190613
Smiles
CN1CCC23C4C (=O) CCC2 (C1CC5=C3C (=C (C=C5) OC) O4) O
Molecular Formula
C18H21NO4
Molecular Weight
315.36 g/mol
Controlled
Yes

Chemical Information

Oxycodone

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.

CAS Number76-42-6
PubChem CID5284603
IUPAC Name(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
Molecular FormulaC18H21NO4
Molecular Weight315.4
XLogP1.2
Topological Polar Surface Area59
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity553
SMILES
CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O
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
2D Structure
2D structure of Oxycodone
CAS: 76-42-6
CID: 5284603
Formula: C18H21NO4
MW: 315.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass315.14705815
Monoisotopic Mass315.14705815
Topological Polar Surface Area59 Ų
Heavy Atom Count23
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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