14484-47-0 (Deflazacort)

1. Introduction Of Deflazacort (CAS No.: 14484-47-0)

Deflazacort (CAS NO.: 14484-47-0), crystalized from the acetone and hexane, is a kind of third generation glucocorticoid. And it has anti-inflammatory and immunosuppressive effects which are used in various diseases, including a wide range of allergic and inflammatory conditions.

Deflazacort is the active ingredient of many types of medicines, such as Calcort tablets. It could be used in Calcort to treat a wide variety of diseases and conditions that require either reduction of inflammation or suppression of the immune system. Besides, it could also be used in primary and secondary acute adrenal hypofunction, rheumatic disease, collagendisease, skin disease, allergic disease, eye disorders, disseminated pulmonary tuberculosis, hematopoietic system disease, INS, hematopoietic system malignant tumors and so on.

2. Basic information of Deflazacort  (CAS No.: 14484-47-0)

1). General knowledge of Deflazacort

Deflazacort, with its CAS registry number 14484-47-0, has its other names as 11β,21-Dihydroxy-2'-methyl-5'βH-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione 21-acetate. And it has the systematic name of 2-[(4aR,4bS,5S,6aS,9aR,10aS,10bS)-5-hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl]-2-oxoethyl acetate. Besides, with the molecular formula of C₂₅H₃₁NO₆ and molecular wight of 441.52, it has the EINECS registry number of 238-483-7 and it belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals; Steroids.

2). Properties of Deflazacort (CAS No.: 14484-47-0)

The other characteristics of Deflazacort can be summarized as: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)#H bond acceptors: 7; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 102.26; (9)Index of Refraction: 1.66; (10)Molar Refractivity: 115.11 cm³; (11)Molar Volume: 311.5 cm³; (12)Polarizability: 45.63×10^-24cm³; (13)Surface Tension: 53 dyne/cm; (14)Enthalpy of Vaporization: 101.82 kJ/mol.

3). Specification of Deflazacort (CAS No.: 14484-47-0)

Deflazacort has the following specifications: (1)Standard: In-house Standard; (2)Appearance: White or almost white powder; (3)Melting Point: 252-258℃; (4)Specific Rotation: +58° ~ +68°; (5)Loss on drying: ≤0.5%; (6)Single impurity: ≤0.5%; (7)Total impurity: ≤1.5%; (8)Assay: 97.0%~102.0.

Deflazacort intermediate (CAS No.: 13649-88-2) has the following specifications: (1)Standard: In-house Standard; (2)Appearance: Pale yellow or yellow crystalline powder; (3)Melting Point: 252-258℃; (4)Specific rotation: +56° ~ +66°; (5)Loss on drying: ≤0.5%; (6)Single impurity: ≤0.5%; (7)Total impurity: ≤2.0%; (8)Assay: 97.0%~102.0%.

4). Descriptors Of Structure

1). SMILES:CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C
2). InChI:InChI=1/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
3). InChIKey:FBHSPRKOSMHSIF-VOXZJPIXBF

5). Toxicity of Deflazacort (CAS No.: 14484-47-0)