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| CAS No.: | 76-42-6 |
|---|---|
| Name: | OXYCODONE |
| Article Data: | 68 |
| Molecular Structure: | |
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| Formula: | C18H21NO4 |
| Molecular Weight: | 315.369 |
| 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; |
| EINECS: | 200-960-2 |
| Density: | 1.39 g/cm3 |
| Melting Point: | 218-220° |
| Boiling Point: | 501.6 °C at 760 mmHg |
| Flash Point: | 257.1 °C |
| Hazard Symbols: | F,T |
| Risk Codes: | 11-23/24/25-39/23/24/25 |
| Safety: | 7-16-36/37-45 |
| Transport Information: | UN 1544 |
| PSA: | 59.00000 |
| LogP: | 0.98610 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
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. |