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| CAS No.: | 152-97-6 |
|---|---|
| Name: | Fluocortolone |
| Molecular Structure: | |
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| Formula: | C22H29FO4 |
| Molecular Weight: | 376.468 |
| Synonyms: | Pregna-1,4-diene-3,20-dione,6a-fluoro-11b,21-dihydroxy-16a-methyl- (7CI,8CI);16a-Methyl-6a-fluoro-D1,4-pregnadien-11b,21-diol-3,20-dione;6a-Fluoro-11b,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione;6a-Fluoro-16a-methyl-1,4-pregnadiene-11b,21-diol-3,20-dione;6a-Fluoro-16a-methyl-D1,4-pregnadiene-11b,21-diol-3,20-dione;6a-Fluoro-16a-methyl-D1-corticosterone;Fluocortolon;SH 742;Ultralan oral; |
| EINECS: | 205-811-5 |
| Density: | 1.25 g/cm3 |
| Melting Point: | 113-116 °C |
| Boiling Point: | 537.4 °C at 760 mmHg |
| Flash Point: | 278.8 °C |
| Solubility: | 204mg/L at 20℃ |
| Appearance: | Pale yellow solid |
| PSA: | 74.60000 |
| LogP: | 2.63670 |
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Specification
The CAS register number of Flucortolone is 152-97-6. It also can be called as Pregna-1,4-diene-3,20-dione, 6-fluoro-11,21-dihydroxy-16-methyl-, (6alpha,11beta,16alpha)- and the IUPAC name about this chemical is (6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one. The molecular formula about this chemical is C22H29FO4 and the molecular weight is 376.47. Classification code about this chemical are Adrenal Cortex Hormones, Anti-Inflammatory Agents, Glucocorticoid, Glucocorticoids, Hormone, Hormones, Hormones, Hormone Substitutes, and Hormone Antagonists and Reproductive Effect. This chemical is a glucocorticoid with anti-inflammatory activity used topically for various skin disorders. It is mainly used topically for its glucocorticoid activity in treatment of various skin disorders.
Physical properties about Flucortolone are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): 1.86; (3)ACD/LogD (pH 7.4): 1.86; (4)ACD/BCF (pH 5.5): 15.32; (5)ACD/BCF (pH 7.4): 15.32; (6)ACD/KOC (pH 5.5): 245.47; (7)ACD/KOC (pH 7.4): 245.47; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 52.6Å2; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 98.61 cm3; (14)Molar Volume: 299.9 cm3; (15)Polarizability: 39.09x10-24cm3; (16)Surface Tension: 49.7 dyne/cm; (17)Enthalpy of Vaporization: 93.64 kJ/mol; (18)Boiling Point: 537.4 °C at 760 mmHg; (19)Vapour Pressure: 8.66E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1\C=C/[C@]4(/C(=C/1)[C@@H](F)C[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@H](C(=O)CO)[C@@H](C[C@@H]23)C)C)C
(2)InChI: InChI=1/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1
(3)InChIKey: GAKMQHDJQHZUTJ-ULHLPKEOBR
(4)Std. InChI: InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1
(5)Std. InChIKey: GAKMQHDJQHZUTJ-ULHLPKEOSA-N