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| CAS No.: | 14484-47-0 |
|---|---|
| Name: | Deflazacort |
| Molecular Structure: | |
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| Formula: | C25H31NO6 |
| Molecular Weight: | 441.524 |
| Synonyms: | 11b,21-Dihydroxy-2'-methyl-5'bH-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione 21-acetate;Cortax,Decortil,Deflanil; |
| EINECS: | 238-483-7 |
| Density: | 1.41 g/cm3 |
| Melting Point: | 255-256.5 °C |
| Boiling Point: | 595.4 °C at 760 mmHg |
| Flash Point: | 313.9 °C |
| Appearance: | COA |
| Safety: | 24/25 |
| PSA: | 102.26000 |
| LogP: | 1.99880 |
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Deflazacort, with the CAS NO.14484-47-0, has the synonyms of 11beta,21-Dihydroxy-2'-methyl-5'betaH-pregna-1,4-
dieno(17,16-d)oxazole-3,20-dione 21-acetate; 5'H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2'-methyl-, (11beta,16beta)-; Azacort. Deflazacort is a kind of Adrenal cortex hormones drugs and with anti-inflammatory and anti-allergic effect. Deflazacort is a medicine which is used in situations wherecorticosteroid treatmentis necessary.
Physical properties about Deflazacort are: (1)ACD/LogP: 2.045; (2)ACD/LogD (pH 5.5): 2.03; (3)ACD/LogD (pH 7.4): 2.05; (4)ACD/BCF (pH 5.5): 20.54 ; (5)ACD/BCF (pH 7.4): 21.09; (6)ACD/KOC (pH 5.5): 300.50; (7)ACD/KOC (pH 7.4): 308.54; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.66; (12)Molar Refractivity: 115.115 cm3; (13)Molar Volume: 311.563 cm3; (14)Polarizability: 45.635 10-24cm3; (15)Surface Tension: 53.0810012817383 dyne/cm; (16)Density: 1.417 g/cm3; (17)Flash Point: 313.911 °C; (18)Enthalpy of Vaporization: 101.824 kJ/mol; (19)Boiling Point: 595.44 °C at 760 mmHg
Preparation of Deflazacort: Deflazacort(CAS NO.14484-47-0) is obtained from 5-pregnane-3β-ol-11,20-dione-2'-methyloxazoline by 2,4-dibromination with Br 2 -dioxane. Deflazacort is preferably obtained according to a fermentation process disclosed in EP-B-322630; in said patent, the compound of formula II is referred to as 11β, 21-dihydroxy-2'-methyl-5'βH-pregna-1,4-dieno [17,16-d] oxazolyn-3,20-dione.
You can still convert the following datas into molecular structure:
(1)InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1;
(2)InChIKey=FBHSPRKOSMHSIF-GRMWVWQJSA-N;
(3)Smiles[C@@]12([C@@]3([C@@H](C[C@H]1OC(=N2)C)[C@H]1[C@H]([C@H](C3)O)[C@@]2(C(=CC(=O)C=C2)CC1)C)C)C(=O)COC(=O)C
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| child | TDLo | unreported | 45mg/kg/2.5Y- (45mg/kg) | SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE | Clinical Nephrology. Vol. 47, Pg. 205, 1997. |
| mouse | LD50 | oral | 5200mg/kg (5200mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 1543, 1980. |
