Pregna-1,4-diene-3,20-dione,11,17,21-trihydroxy-6-methyl-, (6a,11b)-

Reported in EPA TSCA Inventory.

The Methylprednisolone with cas registry number of 83-43-2 has other registry numbers which are 121673-01-6 and 570-35-4. Its EINECS registry number is 201-476-4. It belongs to the classes of Miscellaneous Biochemicals; Biochemistry; Hydroxyketosteroids; Steroids; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical is also known as Promacortine, Reactenol, Sieropresol, Solomet, Solu-medrol, Summicort; Suprametil.Its systematic name is called (6alpha,11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione. And its IUPAC name is also called(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one. It is white to off-white crystalline powder.

Physical properties about this chemical are: (1)ACD/LogP: 1.99; (2) # of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.06; (6)ACD/BCF (pH 7.4): 19.06; (7)ACD/KOC (pH 5.5): 287.01; (8)ACD/KOC (pH 7.4): 287.01; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 100.08 cm³; (15)Molar Volume: 291.4 cm³; (16)Surface Tension: 58.1 dyne/cm; (17)Density: 1.28 g/cm³; (18)Flash Point: 313.7 °C; (19)Enthalpy of Vaporization: 98.47 kJ/mol; (20)Boiling Point: 571.8 °C at 760 mmHg; (21)Vapour Pressure: 1.86E-15 mmHg at 25°C; (22)Refractive index: 82 ° (C=1, Dioxane); (23)Melting Point: 228-237°C.

Uses of Methylprednisolone : this chemical can be used as a glucocorticoid. And it is used for rheumatoid arthritis, collagen diseases, allergic disease, ophthalmic disease, lymphatic leukemia, soft tissue inflammation and hemolytic anemia.

When you are using this chemical, please be cautious about it as the following:
Moderately toxic by intraperitoneal route. A steroid hormone. Human systemic effects include arrhythmias, blood pressure lowering, heart rate changes, increased body temperature, pulse rate increase, respiratory depression. When heated to decomposition it emits acrid smoke and irritating fumes. Wear suitable protective clothing, gloves and eye/face protection when you are using it. Do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Store it at temperature of 0-6°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1\C=C/[C@]4(/C(=C/1)[C@@H](C)C[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C;
(2)InChI: InChI=1/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1;
(3)InChIKey: VHRSUDSXCMQTMA-PJHHCJLFBP

The toxicity data is as follows: