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Oxycodone

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Name

Oxycodone

EINECS 200-960-2
CAS No. 76-42-6 Density 1.39 g/cm3
PSA 59.00000 LogP 0.98610
Solubility N/A Melting Point 218-220°
Formula C18H21NO4 Boiling Point 501.6 °C at 760 mmHg
Molecular Weight 315.369 Flash Point 257.1 °C
Transport Information UN 1544 Appearance N/A
Safety 7-16-36/37-45 Risk Codes 11-23/24/25-39/23/24/25
Molecular Structure Molecular Structure of 76-42-6 (OXYCODONE) Hazard Symbols F,T
Synonyms

Morphinan-6-one,4,5a-epoxy-14-hydroxy-3-methoxy-17-methyl-(8CI);(-)-Oxycodone;Dihydro-14-hydroxycodeinone;Dihydrohydroxycodeinone;Dihydrone;NSC 19043;Oxicon;Oxycodeinone;Oxymorphone 3-methyl ether;Oxynorm;PTI 821;Pavinal;Oxycodone;

Article Data 68

Oxycodone Specification

The CAS registry number of Oxycodone  is 76-42-6. Its EINECS registry number is 200-960-2. The systematic name is (5α)-14-hydroxy-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one. In addition, the molecular formula is C18H21NO4. What's more, it is a semisynthetic derivative of codeine,,a drug marketed by Endo Pharmaceuticals. And it is used to treat moderate to severe pain.

Physical properties about Oxycodone are:
(1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): -0.47; (3)ACD/LogD (pH 7.4): 1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.76; (6)ACD/KOC (pH 5.5): 1.42; (7)ACD/KOC (pH 7.4): 66.4; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 48 Å2; (12)Index of Refraction: 1.659; (13)Molar Refractivity: 83.11 cm3; (14)Molar Volume: 225.3 cm3; (15)Polarizability: 32.95 ×10-24cm3; (16)Surface Tension: 64.5 dyne/cm; (17)Density: 1.39 g/cm3; (18)Flash Point: 257.1 °C; (19)Enthalpy of Vaporization: 81.13 kJ/mol; (20)Boiling Point: 501.6 °C at 760 mmHg; (21)Vapour Pressure: 7.02E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4[C@@H]5Oc1c2c(ccc1OC)C[C@H]3N(CC[C@]25[C@@]3(O)CC4)C
(2)InChI: InChI=1/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
(3)InChIKey: BRUQQQPBMZOVGD-XFKAJCMBBP

The toxicity data of Oxycodone is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 320mg/kg (320mg/kg)   Toxicology and Applied Pharmacology. Vol. 3, Pg. 261, 1961.
mouse LD50 subcutaneous 426mg/kg (426mg/kg)   "Public Health Reports, Supplement." Vol. 138, Pg. 27, 1938.