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Substance Name: Cortodoxone [USAN:INN:BAN]
RN: 152-58-9
UNII: WDT5SLP0HQ
InChIKey: WHBHBVVOGNECLV-OBQKJFGGSA-N

Note

  • 17,21-Dihydroxypregn-4-ene-3,20-dione. A 17-hydroxycorticosteroid with glucocorticoid and anti-inflammatory activities.

Molecular Formula

  • C21-H30-O4

Molecular Weight

  • 346.464
 

Classification Codes

  • Anti-Inflammatory
  • Mutation Data
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Names and Synonyms

Name of Substance

  • Cortodoxone
  • Cortodoxone [USAN:INN:BAN]

MeSH Heading

  • Cortodoxone

Synonyms

  • 11-Deoxy-17-hydroxycorticosterone
  • 11-Deoxyhydrocortisone
  • 11-Desoxy-17-hydroxycorticosterone
  • 11-Desoxycortisol
  • 11-Desoxyhydrocortisone
  • 11-Dioxycortisol
  • 17,21-Dihydroxypregn-4-ene-3,20-dione
  • 17,21-Dihydroxyprogesterone
  • 17-alpha-Hydroxycortexone
  • 17-Hydroxy-11-deoxycorticosterone
  • 17alpha-Hydroxycortexone
  • 4-08-00-02913 (Beilstein Handbook Reference)
  • 4-Pregnene-17alpha,21-diol-3,20-dione
  • BRN 2511358
  • Cortexolone
  • Corticosterone, 11-deoxy-17-hydroxy-
  • Cortisol, 11-deoxy-
  • Cortodoxona
  • Cortodoxona [INN-Spanish]
  • Cortodoxone
  • Cortodoxonum
  • Cortodoxonum [INN-Latin]
  • EINECS 205-805-2
  • NSC-18317
  • Reichstein S
  • Reichstein's compound S
  • Reichstein's substance S
  • SK&F 3050
  • SKF 3050
  • Substance S
  • UNII-WDT5SLP0HQ

Systematic Names

  • Cortodoxone
  • Pregn-4-ene-3,20-dione, 17,21-dihydroxy-

Registry Numbers

CAS Registry Number

  • 152-58-9

FDA UNII

  • WDT5SLP0HQ

System Generated Number

  • 0000152589

Structure Descriptors

InChI

1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1

InChIKey

WHBHBVVOGNECLV-OBQKJFGGSA-N

Smiles

[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)CC[C@@]1([C@](CC2)(C(=O)CO)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04684,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 215 deg C   EXP
log P (octanol-water) 3.08 (none)   EXP
Water Solubility 15.2 mg/L 25 EST
Vapor Pressure 9.49E-12 mm Hg 25 EST
Henry's Law Constant 1.58E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.