Chem
J-GLOBAL ID:200907098577142645   Nikkaji number:J83.648F

Deflazacort

デフラザコルト
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C25H31NO6
Molecular formula furigana: C25-H31-N-O6
Molecular weight: 441.524
InChI: 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
InChI key: FBHSPRKOSMHSIF-GRMWVWQJSA-N
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@]21C
Systematic name  (4):
  • (5′β)-21-アセチルオキシ-11β-ヒドロキシ-2′-メチルプレグナノ[17,16-d]オキサゾール-1,4-ジエン-3,20-ジオン
  • (5′β)-11β-ヒドロキシ-21-アセチルオキシ-2′-メチル-1,2,4,5-テトラデヒドロプレグナノ[17,16-d]オキサゾール-3,20-ジオン
  • 2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-ヒドロキシ-6,9,13-トリメチル-16-オキソ-5-オキサ-7-アザペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-6,14,17-トリエン-8-イル]-2-オキソエチル アセタート
  • 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
Other name (5):
  • デフラザコルト
  • Deflazacort
  • (5′β)-11β-Hydroxy-21-acetyloxy-2′-methyl-1,2,4,5-tetradehydropregnano[17,16-d]oxazole-3,20-dione
  • (5′β)-21-Acetyloxy-11β-hydroxy-2′-methylpregnano[17,16-d]oxazole-1,4-diene-3,20-dione
  • デフラザコート
CAS registry number: 14484-47-0
Regulation number (2):
  • TU4157050
  • EINECS2384837
KEGG DRUG: D03671
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