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CAS No.: | 53187-58-9 |
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Name: | hydrocortisone acetate |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C23H32O6 |
Molecular Weight: | 404.503 |
Synonyms: | Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-;Hydrocortisone acetate;Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate (7CI); |
Density: | 1.267 g/cm3 |
Boiling Point: | 576.556 °C at 760 mmHg |
Flash Point: | 196.167 °C |
PSA: | 100.90000 |
LogP: | 2.35240 |
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The 21-(Acetyloxy)-11,17-dihydroxypregn-4-ene-3,20-dione, with the CAS registry number 53187-58-9, is also known as Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate (7CI). This chemical's molecular formula is C23H32O6 and molecular weight is 404.50. What's more, its systematic name is 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl acetate. Its classification code is Anti-Inflammatory Agents.
Physical properties of 21-(Acetyloxy)-11,17-dihydroxypregn-4-ene-3,20-dione are: (1)ACD/LogP: 2.383; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 38.10; (6)ACD/BCF (pH 7.4): 38.10; (7)ACD/KOC (pH 5.5): 471.22; (8)ACD/KOC (pH 7.4): 471.22; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 100.9 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 105.154 cm3; (15)Molar Volume: 319.256 cm3; (16)Polarizability: 41.686×10-24cm3; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.267 g/cm3; (19)Flash Point: 196.167 °C; (20)Enthalpy of Vaporization: 99.138 kJ/mol; (21)Boiling Point: 576.556 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=O)[C@]3(O)[C@]2(CC(O)[C@@H]4[C@@]1(/C(=C\C(=O)CC1)CC[C@H]4[C@@H]2CC3)C)C)C
(2)Std. InChI: InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18?,20+,21-,22-,23-/m0/s1
(3)Std. InChIKey: ALEXXDVDDISNDU-PBSBYMMBSA-N