Deflazacort

CAS Number: 14484-47-0

Molecular Mass: 441.5 g/mol

Formula: C₂₅H₃₁NO₆

Smiles: CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C

Synonymes:

Deflazacort, DEFLAZACORT, 14484-47-0, Emflaza, Deflazacortum, MDL 458, DL-458IT, DTXSID9020378, L-5458, MDL-458, KR5YZ6AE4B, MDL458, DTXCID10378, 5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2'-methyl-, (11beta,16beta)-, 5'H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2'-methyl-, (11beta,16beta)-, Deflazacort Oral, RefChem:56797, Deflazacort Oral Suspension, H02AB13, (11 beta,16 beta)-21-(acetyloxy)-11-hydroxy-2'-methyl-5'H-pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 11Beta,21-Dihydroxy-2'-Methyl-5'Beta-H-Pregna-1,4-Dieno(17,16-D)Oxazole-3,20-Dione 21-Acetate, 2-((1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo(10.8.0.02,?.0?,?.013,1?)icosa-6,14,17-trien-8-yl)-2-oxoethyl acetate, 238-483-7, Azacort, Calcort, Oxazacort, azacortinol, Flantadin, Deflan, MFCD00866106, 2-((6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-6a,8a,10-trimethyl-4-oxo-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d]oxazol-8b-yl)-2-oxoethyl acetate, Dezacor, Lantadin, Cortax, Decortil, Deflanil, Enzocort, Deflazacort (Calcort), [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-8-yl]-2-oxoethyl] acetate, 2-((6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-6a,8a,10-trimethyl-4-oxo-2,4,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-8b-yl)-2-oxoethyl acetate, 2-[(4aR,4bS,5S,6aS,6bS,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, CAS-14484-47-0, UNII-KR5YZ6AE4B, Deflazacortum [INN-Latin], Deflazacort [USAN:INN:BAN], Azacort, , Deflan, , DL-458-IT, FBHSPRKOSMHSIF-GRMWVWQJSA-N, (11beta,16beta)-21-(Acetyloxy)-11-hydroxy-2'-methyl-5'H-pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, (11beta,16beta)-21-(acetyloxy)-11-hydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, EINECS 238-483-7, Emflaza (TN), Deflazacort (Standard), DEFLAZACORT [MI], DEFLAZACORT [INN], Deflazacort (USAN/INN), DEFLAZACORT [USAN], SCHEMBL4018, DEFLAZACORT [MART.], DEFLAZACORT [USP-RS], DEFLAZACORT [WHO-DD], GTPL9477, CHEMBL1201891, Deflazacort, >=98% (HPLC), DEFLAZACORT [ORANGE BOOK], MSK2254, CHEBI:135720, HMS3714D15, Tox21_112506, Tox21_301415, BBL036672, EBC-11127, EX-A12095, HY-13609R, MSK2254-100A, s1888, STL559051, AKOS015895199, MSK2254-1000A, Tox21_112506_1, CCG-220817, DB11921, FD20886, KS-1158, NCGC00255189-01, NCGC00263521-01, 11beta,21-Dihydroxy-2'-methyl-5'betaH-pregna-1,4-dieno(17,16-d)oxazole-3,20-dione 21-acetate, HY-13609, D4523, NS00004176, D03671, Deflazacort Solution in Acetonitrile, 100ug/mL, AB01274724-01, AB01274724_02, Deflazacort Solution in Acetonitrile, 1000ug/mL, EN300-24137083, Q779118, Deflazacort, United States Pharmacopeia (USP) Reference Standard, (11b,16b)-21-(Acetyloxy)-11-hydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-8-yl]-2-oxo-ethyl] acetate, 11 beta, 21-dihydroxy-2'-methyl-5' beta-H-pregna-1,4-dieno[17,16d]oxazole-3,20-dione-21-acetate, 2-((6aR,6bS,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-6a,8a-dimethyl-10-methylene-4-oxo-1,2,4,6a,6b,7,8,8a,9,10,11a,12,12a,12b-tetradecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d]oxazol-8b-yl)-2-oxoethyl acetate, 2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-6,14,17-trien-8-yl]-2-oxoethyl acetate, 2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.0{2,9}.0{4,8}.0{13,18}]icosa-6,14,17-trien-8-yl]-2-oxoethyl acetate, 5'-beta-H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 11-beta,21-dihydroxy-2'-methyl-, 21-acetate

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
Acetone	293.15	-	37.35	[35]
Acetone	298.15	-	40.48	[35]
Acetone	303.15	-	43.84	[35]
Acetone	303.15	-	43.03	[36]
Acetone	308.15	-	47.22	[35]
Acetone	313.15	-	50.65	[35]
Acetone	318.15	-	55.3	[35]
Acetone	323.15	-	60.38	[35]
Ethanol	293.15	-	12.65	[35]
Ethanol	298.15	-	15.11	[35]
Ethanol	303.15	-	17.72	[35]
Ethanol	303.15	-	18.02	[36]
Ethanol	308.15	-	20.79	[35]
Ethanol	313.15	-	24.84	[35]
Ethanol	318.15	-	29.34	[35]
Ethanol	323.15	-	35.03	[35]
Ethanol	328.15	-	41.36	[35]
Ethanol	333.15	-	48.22	[35]
Ethanol	338.15	-	57.64	[35]
Ethanol	343.15	-	69.09	[35]
Ethyl acetate	293.15	-	14.99	[35]
Ethyl acetate	298.15	-	16.24	[35]
Ethyl acetate	303.15	-	17.55	[35]
Ethyl acetate	303.15	-	17.85	[36]
Ethyl acetate	308.15	-	18.91	[35]
Ethyl acetate	313.15	-	20.5	[35]
Ethyl acetate	318.15	-	22.33	[35]
Ethyl acetate	323.15	-	24.34	[35]
Ethyl acetate	328.15	-	26.34	[35]
Ethyl acetate	333.15	-	28.7	[35]
Ethyl acetate	338.15	-	31.42	[35]
Ethyl acetate	343.15	-	34.12	[35]
Isopropanol	293.15	-	7.316	[35]
Isopropanol	298.15	-	9.253	[35]
Isopropanol	303.15	-	11.56	[35]
Isopropanol	303.15	-	11.66	[36]
Isopropanol	308.15	-	14.19	[35]
Isopropanol	313.15	-	17.24	[35]
Isopropanol	318.15	-	21.4	[35]
Isopropanol	323.15	-	25.57	[35]
Isopropanol	328.15	-	31.58	[35]
Isopropanol	333.15	-	37.9	[35]
Isopropanol	338.15	-	44.92	[35]
Isopropanol	343.15	-	53.54	[35]
Isopropanol	348.15	-	66.33	[35]

Molecule 3D descriptors

Descriptor	Value
PMI1	2046.3039
PMI2	6177.5547
PMI3	7113.6488
NPR1	0.2877
NPR2	0.8684
RadiusOfGyration	4.1676
InertialShapeFactor	0.0004
Eccentricity	0.9577
Asphericity	0.3709
SpherocityIndex	0.3290
PBF	1.2029