Chem
J-GLOBAL ID：200907035885250562   Nikkaji number：J12.822H

Medrol Stabisol

メドロールスタビソール
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： C22H29Na2O8P
Molecular formula furigana： C22-H29-NA2-O8-P
Molecular weight： 498.419
InChI： InChI=1S/C22H31O8P.2Na/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20;;/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H2,27,28,29);;/q;2*+1/p-2/t12?,14-,15-,17-,19+,20-,21-,22-;;/m0../s1
InChI key： FVKLXKOXTMCACB-VTTLICDMSA-L
SMILES： CC1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COP(=O)(O[Na])O[Na])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
Systematic name  (3)：
  • 11β,17-ジヒドロキシ-6-メチル-21-ホスホノオキシプレグナ-1,4-ジエン-3,20-ジオン二ナトリウム
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-1-(2-{[ビス(ソジオオキシ)ホスホリル]オキシ}アセチル)-1,10-ジヒドロキシ-5,9a,11a-トリメチル-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-(2-{[bis(sodiooxy)phosphoryl]oxy}acetyl)-1,10-dihydroxy-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (5)：
  • メドロールスタビソール
  • メチルプレドニソロンりん酸ナトリウム
  • Medrol Stabisol
  • Methylprednisolone sodium phosphate
  • 11β,17-Dihydroxy-6-methyl-21-phosphonooxypregna-1,4-diene-3,20-dione disodium salt
CAS registry number： 5015-36-1
Regulation number (1)：
  • EINECS2256944
KEGG DRUG： D05001
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