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CAS No.: | 434-07-1 |
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Name: | Oxymetholone |
Molecular Structure: | |
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Formula: | C21H32O3 |
Molecular Weight: | 332.483 |
Synonyms: | 5a-Androstan-3-one,17b-hydroxy-2-(hydroxymethylene)-17-methyl- (6CI,8CI);17-Beta-Hydroxy-2-hydroxymethylene-17-alpha-methyl-3-androstanone;17a-Methyl-2-hydroxymethylene-17-hydroxy-5a-androstan-3-one;17b-Hydroxy-2-(hydroxymethylene)-17a-methyl-5a-androstan-3-one;2-Hydroxymethylene-17a-methyl-17b-hydroxy-3-androstanone;2-Hydroxymethylene-17a-methylandrostan-17b-ol-3-one;2-Hydroxymethylene-17b-hydroxy-17a-methyl-5a-androstan-3-one;Adroyd;Anadrol;Anapolan 50;Anapolon;Anasteron;Anasteronal;Anasterone;Becorel;C.I. 406;HMD;NSC-26198;Nastenon;Oxymethenolone;Pardroyd;Plenastril;Protanabol;Roboral;Synasteron;Synasteron 50;fiberdrum or foil bag;Androstan-3-one,17-hydroxy-2-(hydroxymethylene)-17-methyl-, (5a,17b)-; |
EINECS: | 207-098-6 |
Density: | 1.169 g/cm3 |
Melting Point: | 172-180 °C |
Boiling Point: | 465.9 °C at 760 mmHg |
Flash Point: | 249.7 °C |
Solubility: | <0.1 g/100 mL at 23 °C |
Appearance: | white crystalline powder |
Hazard Symbols: |
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Risk Codes: | 40-63 |
Safety: | 53-22-26-36/37/39-36 |
PSA: | 57.53000 |
LogP: | 4.40100 |
1. Introduction of Oxymetholone
Oxymetholone is one kind of white crystalline powder. The IUPAC name of Oxymetholone is (2Z,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one. The product's categories are pharmaceutical; biochemistry; hydroxyketosteroids; steroids. Additionally, Oxymetholone may be light sensitive, combustible and incompatible with strong oxidizing agents. Furthermore, it is a synthetic anabolic steroid developed in 1960 by Syntex Pharmaceuticals.
The Classification Code of this chemical is Anabolic Agents; Androgen; Androgens; Drug / Therapeutic Agent; Hormone; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists; Human Data; Mutation data; Reproductive Effect; Tumor data. It is odorless white crystalline powder which is insoluble in water, easily soluble in chloroform, soluble in dioxane, vegetable oil, and slightly soluble in ethanol and ether.
2. Properties of Oxymetholone
Physical properties about Oxymetholone are:
(1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 85.45; (6)ACD/BCF (pH 7.4): 1.47; (7)ACD/KOC (pH 5.5): 424.82; (8)ACD/KOC (pH 7.4): 7.33; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 95.89 cm3; (14)Molar Volume: 284.2 cm3; (15)Polarizability: 38.01×10-24 cm3; (16)Surface Tension: 50.3 dyne/cm; (17)Enthalpy of Vaporization: 83.9 kJ/mol; (18)Vapour Pressure: 1.23E-10 mmHg at 25°C; (19)Tautomer Count: 5; (20)Exact Mass: 332.235145; (21)MonoIsotopic Mass: 332.235145; (22)Topological Polar Surface Area: 57.5; (23)Heavy Atom Count: 24.
3. Structure Descriptors of Oxymetholone
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C4/C(=C\O)C[C@]1([C@@H](CC[C@@H]2[C@@H]1CC[C@]3([C@H]2CC[C@@]3(O)C)C)C4)C
(2)InChI: InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1
(3)InChIKey: ICMWWNHDUZJFDW-DHODBPELSA-N
(4)Canonical SMILES: CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)
(5)CIsomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C/C(=C/O)/C(=O)C4)C
4. Toxicity of Oxymetholone
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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human | TDLo | oral | 46mg/kg/14W-I (46mg/kg) | LIVER: LIVER FUNCTION TESTS IMPAIRED | JAMA, Journal of the American Medical Association. Vol. 240, Pg. 243, 1978. |
rat | LD50 | intraperitoneal | > 1gm/kg (1000mg/kg) | Drugs in Japan Vol. 6, Pg. 156, 1982. |