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

Modify Date: 2024-01-11 18:37:59

Pregnane-11,20-dione,3-hydroxy-, (3a,5b)- Structure
Pregnane-11,20-dione,3-hydroxy-, (3a,5b)- structure
Common Name Pregnane-11,20-dione,3-hydroxy-, (3a,5b)-
CAS Number 565-99-1 Molecular Weight 332.47700
Density 1.212g/cm3 Boiling Point 504ºC at 760mmHg
Molecular Formula C21H32O3 Melting Point N/A
MSDS N/A Flash Point 272.7ºC

 Names

Name (3R,5R,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Synonym More Synonyms

 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  0

DownStream  1

 Synonyms

11-Oxopregnanolone
3alpha-Hydroxy-11,20-pregnadien
3alpha-Hydroxy-5beta-pregnane-11,20-dione
Renanolone
11-Ketopregnanolone