21-(Acetyloxy)-11,17-dihydroxypregn-4-ene-3,20-dione supplier

Name
hydrocortisone acetate
EINECS
CAS No. 53187-58-9
Article Data21
CAS DataBase
Density 1.267 g/cm³
Solubility
Melting Point
Formula C₂₃H₃₂O₆
Boiling Point 576.556 °C at 760 mmHg
Molecular Weight 404.503
Flash Point 196.167 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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);
PSA 100.90000
LogP 2.35240

21-(Acetyloxy)-11,17-dihydroxypregn-4-ene-3,20-dione Specification

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

Product Name

hydrocortisone acetate

21-(Acetyloxy)-11,17-dihydroxypregn-4-ene-3,20-dione Specification

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