Chem
J-GLOBAL ID：200907003677484992   Nikkaji number：J8.082I

Mazipredone

マジプレドン
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： C26H38N2O4
Molecular formula furigana： C26-H38-N2-O4
Molecular weight： 442.600
InChI： InChI=1S/C26H38N2O4/c1-24-8-6-18(29)14-17(24)4-5-19-20-7-9-26(32,25(20,2)15-21(30)23(19)24)22(31)16-28-12-10-27(3)11-13-28/h6,8,14,19-21,23,30,32H,4-5,7,9-13,15-16H2,1-3H3/t19-,20-,21-,23+,24-,25-,26-/m0/s1
InChI key： CZBOZZDZNVIXFC-VRRJBYJJSA-N
SMILES： CN1CCN(CC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)CC1
Systematic name  (3)：
  • 11β,17α-ジヒドロキシ-21-(4-メチルピペラジン-1-イル)プレグナ-1,4-ジエン-3,20-ジオン
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-ジヒドロキシ-9a,11a-ジメチル-1-[2-(4-メチルピペラジン-1-イル)アセチル]-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • マジプレドン
  • Mazipredone
  • 11β,17α-Dihydroxy-21-(4-methylpiperazin-1-yl)pregna-1,4-diene-3,20-dione
CAS registry number： 13085-08-0
KEGG DRUG： D08158
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