17,21-Dihydroxypregna-1,4-diene-3,11,20-trione | CAS No. 53-03-2

17,21-Dihydroxypregna-1,4-diene-3,11,20-trione

Basic Information

CAS Number

53-03-2

Molecular Formula

C21H26O5

Molecular Weight

358.43 g/mol

AD

Basic Physical Properties

Melting Point

236-238?°C

Boiling Point

573.7°C at 760mmHg

Flash Point

314.8°C

Refractive Index

170 ° (C=0.5, Dioxane)

Vapor Pressure

1.51E-15mmHg at 25°C

Specific Rotation

169 º (c=0.5, dioxane)

CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C

InChI

InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1

InChIKey

XOFYZVNMUHMLCC-ZPOLXVRWSA-N

LogP

1.7658

Topological Polar Surface Area

91.67000000000002 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

764

Safety Information

View Safety Information

GHS Hazard Pictograms

H361H361

Hazard Statement

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • Presone
  • (8xi,9xi,14xi)-17,21-dihydroxypregna-1,4-diene-3,11,20-trione
  • PREDNISONE [WHO-DD]
  • PRECORTAL
  • LMST02030180
  • 1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione
  • delta-E
  • AKOS007930684
  • NCGC00090766-05
  • NCI60_000008
  • Metacortandracin
  • Tox21_111014_1
  • P1276
  • Econosone
  • .delta.sone
  • Hostacortin
  • BRD-K85883481-001-08-3
  • Ofisolona
  • PREDNISONE (MART.)
  • NSC-10023
  • Meticortelone (TN)
  • prednison-
  • 17alpha,21-dihydroxypregna-1,4-diene-3,11,20-trione
  • Dellacort A
  • Origen Prednisone
  • Panasol
  • NCGC00090766-01
  • 1-Dehydrocortisone
  • Metrevet (Veterinary)
  • Tox21_111014
  • Prednicen-M

MDL Number

MFCD00003608

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