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Pregn-4-ene-3,20-dione,6-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,11b,16a)- (1524-88-5)

Identification
Name:Pregn-4-ene-3,20-dione,6-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,11b,16a)-
Synonyms:Pregn-4-ene-3,20-dione,6a-fluoro-11b,16a,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone(7CI,8CI);33379;6a-Fluoro-11b,21-dihydroxy-16a,17a-(isopropylidenedioxy)pregn-4-ene-3,20-dione;6a-Fluoro-16a-hydroxyhydrocortisone 16,17-acetonide;Alondra F;Cordran;Drenison;Drocort;Fluadrenolone;Fludroxycortide;Fluorandrenolone;Fluorandrenolone acetonide;Fluoroandrenolone acetonide;Flurandrenolide;Flurandrenolone;Flurandrenolone acetonide;Haelan;HaldroneF;L 33379;Sermaka;
CAS:1524-88-5
EINECS: 216-196-8
Molecular Formula: C24H33FO6
Molecular Weight: 436.52
InChI: InChI=1/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13?,14?,16-,17-,19+,20?,22-,23-,24+/m0/s1
Molecular Structure: (C24H33FO6) Pregn-4-ene-3,20-dione,6a-fluoro-11b,16a,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone(7CI,8...
Properties
Melting Point: 209 - 219
Flash Point: 303.8°C
Boiling Point: 578.7°Cat760mmHg
Density:1.31g/cm3
Stability:Stable at normal temperatures and pressures.
Refractive index:1.572
Solubility:Insoluble
Specification:

The Flurandrenolide, with the CAS registry number 1524-88-5, is also known as 6alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic 16,17-acetal with acetone. This chemical's molecular formula is C24H33FO6 and formula weight is 436.52. What's more, its systematic name is called (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-12-Fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol -2-one.

Physical properties about this chemical are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.17; (6)ACD/BCF (pH 7.4): 21.17; (7)ACD/KOC (pH 5.5): 309.43; (8)ACD/KOC (pH 7.4): 309.43; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 109.44 cm3; (15)Molar Volume: 332.3 cm3; (16)Surface Tension: 52.6 dyne/cm; (17)Density: 1.31 g/cm3; (18)Flash Point: 303.8 °C; (19)Enthalpy of Vaporization: 99.45 kJ/mol; (20)Boiling Point: 578.7 °C at 760 mmHg; (21)Vapour Pressure: 8.35E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C5/[C@](C)(CC1)[C@@H]2[C@H]([C@H]3[C@](C[C@@H]2O)([C@@]4(OC(O[C@@H]4C3)(C)C)C(=O)CO)C)C[C@@H]5F
(2)InChI: InChI=1/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
(3)InChIKey: POPFMWWJOGLOIF-XWCQMRHXBO

Flash Point: 303.8°C
Storage Temperature: Keep tightly closed. Store in a cool dry place.
Color: Crystals from acetone + hexane
WHITE TO OFF-WHITE, FLUFFY CRYSTALLINE POWDER
Usage:Used to treat the itching, redness, dryness, crusting, scaling, inflammation, and discomfort of various skin conditions.
Safety Data
 

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