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| CAS No.: | 3801-06-7 |
|---|---|
| Name: | Eflone |
| Molecular Structure: | |
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| Formula: | C24H31FO5 |
| Molecular Weight: | 418.506 |
| Synonyms: | Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17-dihydroxy-6a-methyl-, 17-acetate(6CI,7CI,8CI);6a-Methyl-9a-fluoro-17-acetoxy-21-deoxyprednisolone;6a-Methyl-9a-fluoro-21-desoxyprednisolone-17-acetate;Flarex;Fluorometholone acetate;NSC 47438;Oxylone acetate;U 17323; |
| EINECS: | 223-270-3 |
| Density: | 1.24 g/cm3 |
| Melting Point: | 230-232° |
| Boiling Point: | 532.1 °C at 760 mmHg |
| Flash Point: | 275.6 °C |
| PSA: | 80.67000 |
| LogP: | 3.49410 |
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Specification
The Eflone, with cas registry number 3801-06-7, has the systematic name of (6alpha,11beta)-9-fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione. And its mixture name is Tobrasone. Besides this, it is also called (6a,11b)-9-Fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione.
Physical properties about this chemical are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.2; (6)ACD/BCF (pH 7.4): 20.2; (7)ACD/KOC (pH 5.5): 299.19; (8)ACD/KOC (pH 7.4): 299.19; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 98.7 cm3; (15)Molar Volume: 298.9 cm3; (16)Polarizability: 39.12×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Enthalpy of Vaporization: 92.22 kJ/mol; (19)Vapour Pressure: 2.59E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)[C@@H](C)C[C@H]4[C@@H]2CC3)C)C
(2)InChI: InChI=1/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1
(3)InChIKey: FAOZLTXFLGPHNG-KNAQIMQKBX
(4)Std. InChI: InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1
(5)Std. InChIKey: FAOZLTXFLGPHNG-KNAQIMQKSA-N
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