4-Pregnene-3,11,20-trione

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Names

[ CAS No. ]:
516-15-4

[ Name ]:
4-Pregnene-3,11,20-trione

[Synonym ]:
EINECS 208-222-1
11-ketoprogesterone
MFCD00021110

Chemical & Physical Properties

[ Density]:
1.14 g/cm3

[ Boiling Point ]:
487.6ºC at 760 mmHg

[ Melting Point ]:
170-175 °C(lit.)

[ Molecular Formula ]:
C21H28O3

[ Molecular Weight ]:
328.44500

[ Flash Point ]:
209.3ºC

[ Exact Mass ]:
328.20400

[ PSA ]:
51.21000

[ LogP ]:
3.90250

[ Index of Refraction ]:
1.55

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU5513000
CHEMICAL NAME :
Pregn-4-ene-3,11,20-trione
CAS REGISTRY NUMBER :
516-15-4
BEILSTEIN REFERENCE NO. :
2063775
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H28-O3
MOLECULAR WEIGHT :
328.49
WISWESSER LINE NOTATION :
L E5 B666 CV OV MUTJ A1 E1 FV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
2500 ug/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
50 umol/L
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 146,401,1974

Safety Information

[ RTECS ]:
TU5513000

Synthetic Route

Precursor & DownStream

Precursor

  • Pregn-4-ene-3,20-dione,11-hydroxy-, (11α)-
  • Cortisone
  • 21-(Trityloxy)pregn-4-ene-3,11,20-trione
  • 11-Dehydrocorticosterone
  • Progesterone
  • 21-Methoxypregn-4-ene-3,11,20-trione
  • 11beta-Hydroxyprogesterone
  • Corticosterone
  • Pregnane-3,20-dione, 11-hydroxy-, (5.alpha.,11.alpha.)-

DownStream

  • 11beta-Hydroxyprogesterone

Related Compounds

  • 21-hydroxy-4-pregnene-3,11,20-trione
  • 21-hydroxy-4-pregnene-3,11,20-trione
  • 17a,21-Dihydroxy-4-pregnene-3,11,20-trione
  • 17α,21-Dihydroxy-4-pregnene-3,11,20-trione 21-acetate
  • 4-Pregnene-17,21-diol-3,11,20-trione 21-sulphate,sodium salt
  • (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-[2-(4-hydroxyphenyl)iminoacetyl]-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione