[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-aminoacetate,hydrochloride

Names

[ CAS No. ]:
128887-42-3

[ Name ]:
[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-aminoacetate,hydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
604.5ºC at 760mmHg

[ Molecular Formula ]:
C23H34ClNO6

[ Molecular Weight ]:
455.97200

[ Flash Point ]:
319.4ºC

[ Exact Mass ]:
455.20700

[ PSA ]:
126.92000

[ LogP ]:
2.79350

[ Vapour Pressure ]:
3.89E-17mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MB9690000
CHEMICAL NAME :
Glycine, (11-beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester, hydrochloride
CAS REGISTRY NUMBER :
128887-42-3
LAST UPDATED :
199303
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H33-N-O6.Cl-H
MOLECULAR WEIGHT :
456.03

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 24(3),26,1990

Precursor & DownStream

Precursor

  • 21-(N-tert-butyloxycarbonyl)aminoacetoxy-11β,17α-dihydroxypregn-4-ene-3,20-dione
  • Hydrocortisone
  • 11β,17α-dihydroxy-21-iodopregn-4-ene-3,20-dione
  • 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-methanesulphonate

DownStream

Related Compounds

  • 3-(2-Chlorophenyl)-4-((3,4-dihydroxybenzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione
  • 4-((3-Ethoxy-2-hydroxybenzylidene)amino)-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione
  • 3-(2-Fluorophenyl)-4-((4-hydroxy-3-methoxybenzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione
  • 4-((3-Bromo-4-hydroxy-5-methoxybenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione
  • 2-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol
  • 4-((3-Bromo-4-hydroxy-5-methoxybenzylidene)amino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione
  • Disodium 5-methyltetrahydrofolate
  • 2-bromo-4-((E)-{[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
  • 4-((3-Bromo-4-hydroxy-5-methoxybenzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione
  • 3-(2-Fluorophenyl)-4-(((2-hydroxynaphthalen-1-yl)methylene)amino)-1H-1,2,4-triazole-5(4H)-thione
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