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14484-47-0

Basic Information
CAS No.: 14484-47-0
Name: Deflazacort
Molecular Structure:
Molecular Structure of 14484-47-0 (Deflazacort)
Formula: C25H31NO6
Molecular Weight: 441.52
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
Solubility:
Appearance: COA
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 102.26000
LogP: 1.99880
Downstream Products
13649-57-5
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    Quick Details CAS No.: 14484-47-0 Other Names: 16-d)oxazole-3,20-dione MF: C25H31NO6 EINECS No.: 238-483-7 Place of Origin: Hebei, C

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  • Deflazacort CAS NO.14484-47-0

  • Casno:

    14484-47-0

    Deflazacort CAS NO.14484-47-0

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Specification

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.