[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

  • 2-Chloro-1-(2-fluoro-6-methoxy-4-methylphenyl)ethan-1-one
  • 5-amino-1-(2-methoxybenzyl)-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,2-dihydro-3H-pyrrol-3-one
  • 5-amino-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-furylmethyl)-1,2-dihydro-3H-pyrrol-3-one
  • 5-amino-1-(4-isopropylphenyl)-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,2-dihydro-3H-pyrrol-3-one
  • 5-amino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-thienylmethyl)-1,2-dihydro-3H-pyrrol-3-one
  • 2,2-Difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethan-1-ol
  • 5-Bromo-2-fluoro-3-(trifluoromethyl)phenylacetonitrile
  • 2-Bromo-5-fluoro-4-(trifluoromethyl)phenylacetonitrile
  • 4-(Piperidin-4-yl)pentanenitrile
  • 5-amino-1-(1-benzylpiperidin-4-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydro-3H-pyrrol-3-one
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