Pregna-1,4-diene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-, monosodium salt, (6a,11b)- (2375-03-3)

The 6alpha-Methylprednisolone sodium succinate with the cas number 2375-03-3, is also called sodium 4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoate named by IUPAC. It's system names are (1)Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-6-alpha-methyl-, 21- (hydrogen succinate), monosodium salt ; (2)Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-6alpha-methyl-, 21-(hydrogen succinate), monosodium salt (8CI) ; (3)Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-, monosodium salt,(6alpha,11beta)-. It belongs to the following product categories: (1)Pharmaceutical Intermediates; (2)Aromatic Ketones (substituted); (3)ketone; (4)Materials Science so on. It is stable under ambient conditions and soluble in water, as well as ethanol and methanol, but may be light sensitive, and is incompatible with strong oxidizing agents. It is a prednisolone derivative with similar anti-inflammatory action.

Physical properties about 6alpha-Methylprednisolone sodium succinate are: (1)ACD/LogP: 2.69 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.46 ; (4)ACD/LogD (pH 7.4): -0.33 ; (5)ACD/BCF (pH 5.5): 3.8 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 40.39 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 8 ; (10)#H bond donors: 3 ; (11)#Freely Rotating Bonds: 9 ; (12)Polar Surface Area: 116.2 Å² ; (13)Flash Point: 230.7 °C ; (14)Enthalpy of Vaporization: 115.58 kJ/mol ; (15)Boiling Point: 689.6 °C at 760 mmHg ; (16)Vapour Pressure: 5.28E-22 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following: It may cause harm to the unborn child while limited evidence of a carcinogenic effect. Hence, do not breathe dust and avoid exposure - obtain special instructions before use. Before you are using this chemical, you should better wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure :
(1).SMILES: [Na+].[O-]C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]4[C@H]([C@@H](O)C[C@]12C)[C@]/3(/C=C\C(=O)\C=C\3[C@@H](C)C4)C
(2).InChI:InChI=1/C26H34O8.Na/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24;/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31);/q;+1/p-1/t14-,16-,17-,19-,23+,24-,25-,26-;/m0./s1

Toxic information of 6alpha-Methylprednisolone sodium succinate can be showed as follows: