(8R,9S,10R,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

Names

[ CAS No. ]:
1235-15-0

[ Name ]:
(8R,9S,10R,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

[Synonym ]:
(8R,9S,10R,13S,14S,17S)-13,17-Diethyl-17-hydroxy-1,2,6,7,8,9,10,1 1,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3- one (non-preferred name)

Chemical & Physical Properties

[ Density]:
1.09g/cm3

[ Boiling Point ]:
459.5ºC at 760mmHg

[ Molecular Formula ]:
C21H32O2

[ Molecular Weight ]:
316.47800

[ Flash Point ]:
195.6ºC

[ Exact Mass ]:
316.24000

[ PSA ]:
37.30000

[ LogP ]:
4.65940

[ Vapour Pressure ]:
2.24E-10mmHg at 25°C

[ Index of Refraction ]:
1.551

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JF7972000
CHEMICAL NAME :
18,19-Dinor-17-alpha-pregn-4-en-3-one, 13-ethyl-17-hydroxy-, (+-)-
CAS REGISTRY NUMBER :
1235-15-0
LAST UPDATED :
199706
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C21-H32-O2
MOLECULAR WEIGHT :
316.53
WISWESSER LINE NOTATION :
L E5 B666 OV MUTJ E2 FQ F2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5010 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
165 mg/kg
SEX/DURATION :
female 15-25 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - parturition
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: 123,867,1966
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
5 mg/kg
SEX/DURATION :
female 15-24 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - parturition
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: 123,867,1966

Related Compounds

  • 2-Methoxy-5-[(piperidin-1-yl)methyl]pyridine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-(2-(6-(Pyrrolidin-1-yl)pyridin-3-yl)piperidin-1-yl)ethanone
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 4-(4-Methoxybenzoyl)-1-methyl-1H-pyrrole-2-carboxaldehyde
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • Benzoic acid,5-methoxy-2-[(phenylmethyl)amino]-
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 5-Chloro-2-(difluoromethyl)-1-fluoro-3-methoxybenzene
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol