Pregn-17(20)-en-21-oic acid, 3,16-dihydroxy-11-oxo-, gamma-lactone, (3-beta,5-alpha,16-beta)-

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Names

[ CAS No. ]:
337-67-7

[ Name ]:
Pregn-17(20)-en-21-oic acid, 3,16-dihydroxy-11-oxo-, gamma-lactone, (3-beta,5-alpha,16-beta)-

Chemical & Physical Properties

[ Density]:
1.25g/cm3

[ Boiling Point ]:
547.7ºC at 760 mmHg

[ Molecular Formula ]:
C21H28O4

[ Molecular Weight ]:
344.44500

[ Flash Point ]:
194.6ºC

[ Exact Mass ]:
344.19900

[ PSA ]:
63.60000

[ LogP ]:
3.03070

[ Index of Refraction ]:
1.585

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU5535000
CHEMICAL NAME :
5-alpha-Pregn-17(20)-en-21-oic acid, 3-beta,16-beta-dihydroxy-11-oxo-, gamma-lactone
CAS REGISTRY NUMBER :
337-67-7
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H28-O4
MOLECULAR WEIGHT :
344.49
WISWESSER LINE NOTATION :
T F5 E5 B666 CV HVO JH&TTTTJ A1 E1 P1 RQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
115 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
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: 7,348,1964

Related Compounds

  • 1-(Piperidin-4-yl)but-2-en-1-one
  • 1-Acetyl-2-ethylpiperidine-2-carboxylic acid
  • 1-(Butan-2-yl)-8-methyl-1,7-diazaspiro[4.5]decane
  • 1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoyl]-3,3-dimethylpyrrolidine-2-carboxylic acid
  • 2-(4,4-Difluorocyclohexyl)morpholine
  • 5-Bromo-1,3-thiazole-2-sulfonyl fluoride
  • 7,7-Diethyl-6-oxa-8-azaspiro[3.5]nonane
  • (3,3-Dimethyloxan-2-yl)methanesulfonyl fluoride
  • Ethyl 2-(azetidin-3-ylidene)-2-bromoacetate
  • tert-butyl N-ethyl-N-(2-iodophenyl)carbamate
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