emitefur

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Names

[ CAS No. ]:
110690-43-2

[ Name ]:
emitefur

Chemical & Physical Properties

[ Density]:
1.52 g/cm3

[ Boiling Point ]:
755.1ºC at 760 mmHg

[ Melting Point ]:
162-164°

[ Molecular Formula ]:
C28H19FN4O8

[ Molecular Weight ]:
558.47100

[ Flash Point ]:
410.5ºC

[ Exact Mass ]:
558.11900

[ PSA ]:
159.58000

[ LogP ]:
2.53668

[ Vapour Pressure ]:
1.09E-22mmHg at 25°C

[ Index of Refraction ]:
1.663

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG9895000
CHEMICAL NAME :
Benzoic acid, 3-((3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1 (2H)-pyrimidinyl) carbonyl)-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
CAS REGISTRY NUMBER :
110690-43-2
LAST UPDATED :
199503
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C28-H19-F-N4-O8
MOLECULAR WEIGHT :
558.51

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1850 mg/kg
TOXIC EFFECTS :
Blood - changes in spleen Skin and Appendages - hair Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Gastrointestinal - other changes Blood - changes in spleen Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Gastrointestinal - hypermotility, diarrhea Blood - changes in spleen
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3640 mg/kg/13W-I
TOXIC EFFECTS :
Blood - changes in erythrocyte (RBC) count Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3640 mg/kg/1Y-I
TOXIC EFFECTS :
Behavioral - food intake (animal) Blood - changes in spleen Blood - other changes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
7280 mg/kg/1Y-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - changes in chlorine Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
2730 mg/kg/13W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
520 mg/kg
SEX/DURATION :
female 17-21 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - behavioral
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
65 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
Micronucleus test

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
60 mg/L
REFERENCE :
JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 18(Suppl 3),11,1993

Related Compounds

  • Ethyl 1-((6-(spiro[5.5]undecan-3-yloxy)quinolin-2-yl)methyl)piperidine-4-carboxylate
  • 3-(2-(Ethylsulfonyl)cyclopropyl)aniline
  • Methyl 1-(6-acetoxy-2-naphthoyl)piperidine-4-carboxylate
  • 1-(2-(Ethylsulfonyl)cyclopropyl)-4-fluorobenzene
  • Ethyl 1-((6-((2-methylcyclohexyl)oxy)naphthalen-2-yl)methyl)piperidine-4-carboxylate
  • 1-(2-(Ethylsulfonyl)cyclopropyl)-2-fluorobenzene
  • 5-Hydroxy-1,2-dimethyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
  • 1-(3-(2,5-Dimethylphenyl)-1,2,4-oxadiazol-5-yl)ethanamine
  • Ethyl 1-((6-(cyclohexyloxy)quinolin-2-yl)methyl)piperidine-4-carboxylate
  • 1-(3-(3,4-Dimethylphenyl)-1,2,4-oxadiazol-5-yl)ethanamine
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