Chem
J-GLOBAL ID：200907036447432123   Nikkaji number：J830.307J

ORG-20599

2β-モルホリノ-3α-ヒドロキシ-21-クロロ-5α-プレグナン-20-オン
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： C25H40ClNO3
Molecular formula furigana： C25-H40-CL-N-O3
Molecular weight： 438.050
InChI： InChI=1S/C25H40ClNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16-,17-,18-,19-,20+,21-,22-,24-,25-/m0/s1
InChI key： NZFNABGZEQPYBX-PMBZPZLSSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@H](C[C@]34C)N3CCOCC3)[C@@H]1CC[C@@H]2C(=O)CCl
Systematic name  (4)：
  • 2β-モルホリノ-3α-ヒドロキシ-21-クロロ-5α-プレグナン-20-オン
  • 21-クロロ-2β-モルホリノ-3α-ヒドロキシ-5α-プレグナン-20-オン
  • 1-[(1S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-7-ヒドロキシ-9a,11a-ジメチル-8-(モルホリン-4-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2-クロロエタン-1-オン
  • 1-[(1S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-8-(morpholin-4-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-chloroethan-1-one
Other name (4)：
  • Org-20599
  • 2β-Morpholino-3α-hydroxy-21-chloro-5α-pregnan-20-one
  • 21-Chloro-2β-morpholino-3α-hydroxy-5α-pregnane-20-one
  • ORG-20599
KEGG COMPOUND： C13804
Thsaurus map：
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