N-(Chloro-2 ethyl)-N-nitrosocarbamyl-L-threonine [French]

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Names

[ CAS No. ]:
80687-08-7

[ Name ]:
N-(Chloro-2 ethyl)-N-nitrosocarbamyl-L-threonine [French]

Chemical & Physical Properties

[ Density]:
1.58g/cm3

[ Molecular Formula ]:
C7H12ClN3O5

[ Molecular Weight ]:
253.64000

[ Exact Mass ]:
253.04700

[ PSA ]:
119.30000

[ LogP ]:
0.14310

[ Index of Refraction ]:
1.581

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XO8620000
CHEMICAL NAME :
Threonine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-
CAS REGISTRY NUMBER :
80687-08-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H12-Cl-N3-O5
MOLECULAR WEIGHT :
253.67

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 :
110 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 19,512,1984

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • benzyl (2S,3R)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoate
  • L-Threonine

DownStream

  • Butanamide,2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-3-hydroxy-N-(4-methylphenyl)-,[R-(R*,S*)]- (9CI)

Related Compounds

  • Trinonacontylbenzene
  • 16,24-Cycloergostane
  • CID 165359399
  • Dononacontylbenzene
  • 11,19-Cyclopregnane
  • 8aH-1,2-Benzoxazine
  • 1-Tetranonacontene
  • (2S,3S)-3-[(2R,3R,4S,5R,6R)-2-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-3-(carboxymethoxy)-2-hydroxypropanoic acid
  • (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
  • 1-Heptanonacontene
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