Pregnane-11,20-dione,3-hydroxy-, (3a,5b)-

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Names

[ CAS No. ]:
565-99-1

[ Name ]:
Pregnane-11,20-dione,3-hydroxy-, (3a,5b)-

[Synonym ]:
11-Oxopregnanolone
3alpha-Hydroxy-11,20-pregnadien
3alpha-Hydroxy-5beta-pregnane-11,20-dione
Renanolone
11-Ketopregnanolone

Chemical & Physical Properties

[ Density]:
1.212g/cm3

[ Boiling Point ]:
504ºC at 760mmHg

[ Molecular Formula ]:
C21H32O3

[ Molecular Weight ]:
332.47700

[ Flash Point ]:
272.7ºC

[ Exact Mass ]:
332.23500

[ PSA ]:
54.37000

[ LogP ]:
3.77420

[ Index of Refraction ]:
1.562

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU4157900
CHEMICAL NAME :
5-beta-Pregnane-11,20-dione, 3-alpha-hydroxy-
CAS REGISTRY NUMBER :
565-99-1
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H32-O3
MOLECULAR WEIGHT :
332.53
WISWESSER LINE NOTATION :
L E5 B666 CVTJ A1 E1 FV1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
68 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,117,1968
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,117,1968

Precursor & DownStream

Precursor

DownStream

  • 5.alpha.-Pregnane-11,20-dione, 21-bromo-3.beta., 17.alpha.-dihydroxy-

Related Compounds

  • Pregnane-11,20-dione,3-(acetyloxy)-, (3a,5b)- (9CI)
  • Pregnane-11,20-dione,3,21-dihydroxy-, (3a,5b)-
  • Pregnane-11,20-dione,3,17-dihydroxy-, (3a,5b)- (9CI)
  • Pregnane-11,20-dione,3-hydroxy-, (3b,5a)-
  • Pregnane-11,20-dione,21-(acetyloxy)-3,17-dihydroxy-, (3a,5b)- (9CI)
  • Pregnane-11,20-dione,3-(acetyloxy)-16-bromo-17-hydroxy-, (3b,5a,16b)- (9CI)
  • ethyl 2-(aminocarbonyl)-1-(2-hydroxy-2-phenylethyl)-1H-imidazole-4-carboxylate
  • 2-(2,5-dioxo-4-phenyl-3,4,5,7-tetrahydrofuro[3,4-d]pyrimidin-1(2H)-yl)-N,N-diethylacetamide
  • 1-butyl-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5(1H,3H)-dione
  • 1-(3-methylbutyl)-4-phenyl-4,7-dihydrofuro[3,4-d]pyrimidine-2,5(1H,3H)-dione
  • 1-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(2-thienyl)-4,7-dihydrofuro[3,4-d]pyrimidine-2,5(1H,3H)-dione
  • 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2-thienyl)-4,7-dihydrofuro[3,4-d]pyrimidine-2,5(1H,3H)-dione
  • 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thienyl)-4,7-dihydrofuro[3,4-d]pyrimidine-2,5(1H,3H)-dione
  • 2-[4-(4-ethoxyphenyl)-2,5-dioxo-3,4,5,7-tetrahydrofuro[3,4-d]pyrimidin-1(2H)-yl]acetamide
  • 4-(4-ethoxyphenyl)-1-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione
  • 4-(4-ethoxyphenyl)-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione
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