Pregn-5-ene-3,20-dione(6CI,7CI,8CI,9CI)

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Names

[ CAS No. ]:
1236-09-5

[ Name ]:
Pregn-5-ene-3,20-dione(6CI,7CI,8CI,9CI)

[Synonym ]:
Pregn-5-en-3,20-dion
5-Pregnene-3,20-dione
Pregn-5-ene-3,20-dione
isoprogesterone
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Chemical & Physical Properties

[ Density]:
1.08g/cm3

[ Boiling Point ]:
440.1ºC at 760mmHg

[ Molecular Formula ]:
C21H30O2

[ Molecular Weight ]:
314.46200

[ Flash Point ]:
164.2ºC

[ Exact Mass ]:
314.22500

[ PSA ]:
34.14000

[ LogP ]:
4.72350

[ Vapour Pressure ]:
6.03E-08mmHg at 25°C

[ Index of Refraction ]:
1.542

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU5002000
CHEMICAL NAME :
Pregn-5-ene-3,20-dione
CAS REGISTRY NUMBER :
1236-09-5
BEILSTEIN REFERENCE NO. :
3102499
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H30-O2
MOLECULAR WEIGHT :
314.51

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
DOSE :
35 mg/kg
SEX/DURATION :
female 7 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
JEMEAV Journal of Experimental Medicine. (Rockefeller Univ. Press, 1230 York Ave., New York, NY 10021) V.1- 1896- Volume(issue)/page/year: 102,347,1955

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Pregnenolone
  • Progesterone
  • 2-(10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl)propanenitrile

DownStream

  • Progesterone
  • Testolactone
  • Pregnenolone
  • 3-epi-Pregnenolone

Related Compounds

  • Pregn-4-ene-3,20-dione,4-chloro- (7CI,8CI,9CI)
  • Pregn-4-ene-3,20-dione,16-(1-aziridinyl)- (7CI,8CI,9CI)
  • Pregn-4-ene-3,20-dione,4-chloro-17-hydroxy- (7CI,8CI,9CI)
  • pregn-5-ene-3,20-dione bis(ethylene ketal)
  • 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-undecanoate
  • 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-pivalate