Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
9-Fluoro-16a,17-(isopropylidenedioxy)corticosterone |
EINECS | 216-195-2 |
CAS No. | 1524-86-3 | Density | 1.31 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C24H33FO6 | Boiling Point | 575.7 °C at 760 mmHg |
Molecular Weight | 436.521 | Flash Point | 302 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Hydrotriamcinolone Acetate;Corticosterone,9-fluoro-16a,17-dihydroxy-, cyclic 16,17-acetalwith Me2CO (6CI);Pregn-4-ene-3,20-dione, 9-fluoro-11b,16a,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone(7CI,8CI);11b,16a,17a,21-Tetrahydroxy-9a-fluoropregn-4-ene-3,20-dione 16,17-acetonide;NSC21915; |
Article Data | 8 |
The Pregn-4-ene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11b,16a)- (9CI), with the CAS registry number 1524-86-3, is also known as 9-Fluoro-11b,21-dihydroxy-16a,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione. Its EINECS registry number is 216-195-2. Its systematic name is called 4b-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 of Pregn-4-ene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11b,16a)- (9CI): (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.47; (6)ACD/BCF (pH 7.4): 36.47; (7)ACD/KOC (pH 5.5): 456.73; (8)ACD/KOC (pH 7.4): 456.73; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 109.5 cm3; (14)Molar Volume: 331.5 cm3; (15)Surface Tension: 53.2 dyne/cm; (16)Density: 1.31 g/cm3; (17)Flash Point: 302 °C; (18)Enthalpy of Vaporization: 99.02 kJ/mol; (19)Boiling Point: 575.7 °C at 760 mmHg; (20)Vapour Pressure: 1.19E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C5/C(C)(CC1)C2(F)C(C3C(CC2O)(C4(OC(OC4C3)(C)C)C(=O)CO)C)CC5
(2)InChI: InChI=1/C24H33FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h9,15-17,19,26,28H,5-8,10-12H2,1-4H3
(3)InChIKey: TZFZVQNBXVBQDC-UHFFFAOYAM