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| Name |
Dexamethasone 21-(sodium hydrogen phosphate) |
EINECS | 217-487-2 | ||
| CAS No. | 1869-92-7 | Density | N/A | ||
| PSA | 154.00000 | LogP | 2.45090 | ||
| Solubility | N/A | Melting Point |
62oC |
||
| Formula | C22H29FNaO8P | Boiling Point | 669.6°Cat760mmHg | ||
| Molecular Weight | 494.42 | Flash Point | 358.7°C | ||
| Transport Information | N/A | Appearance | Very slightly yellow solid. | ||
| Safety |
|
Risk Codes | N/A | ||
| Molecular Structure |
|
Hazard Symbols | N/A | ||
| Synonyms |
Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogenphosphate), monosodium salt (8CI);Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-phosphate,monosodium salt (6CI,7CI); |
Dexamethasone 21-(sodium hydrogen phosphate) Specification
The Dexamethasone 21-(sodium hydrogen phosphate), with the cas registry number 1869-92-7, has the systematic name of [[2-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethoxy]-hydroxy-phosphoryl]oxysodium. The molecular formula of the chemical is C22H29FNaO8P.
The characteristics of this chemical are as followings: (1)Molecular Weight 494.422794: [g/mol] ; (2)H-Bond Donor: 3; (3)H-Bond Acceptor: 9; (4)Rotatable Bond Count: 4; (5)Tautomer Count: 6; (6)Exact Mass: 494.148177; (7)MonoIsotopic Mass: 494.148177; (8)Topological Polar Surface Area: 144; (9)Heavy Atom Count: 33; (10)Formal Charge: 0; (11)Complexity: 985; (12)Isotope Atom Coun: 0; (13)Defined Atom StereoCenter Count: 8; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na]OP(O)(=O)OCC(=O)C4(O)C(C)CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC34C
(2)InChI: InChI=1/C22H30FO8P.Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);/q;+1/p-1/rC22H29FNaO8P/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-31-33(29,30)32-24/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3,(H,29,30)
(3)InChIKey: MQRFYYBWKRACSJ-OFDWFSRNAN
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