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110690-43-2

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Basic Information
CAS No.: 110690-43-2
Name: EMITEFUR
Article Data: 3
Molecular Structure:
Molecular Structure of 110690-43-2 (EMITEFUR)
Formula: C28H19 F N4 O8
Molecular Weight: 558.479
Synonyms: BOF-A 2;Emitefur
Density: 1.52 g/cm3
Melting Point: 162-164°
Boiling Point: 755.1 °C at 760 mmHg
Flash Point: 410.5 °C
Hazard Symbols: A poison by ingestion. A reproductive hazard.
Safety: A poison by ingestion and subcutaneous routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and F−.
PSA: 159.58000
LogP: 2.53668
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Chemistry

IUPAC Name: (6-Benzoyloxy-3-cyanopyridin-2-yl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoate Synonyms of 3-(3-(6-Benzoyloxy-3-cyano-2-pyridyloxy carbonyl)benzoyl)-1-ethoxymethyl-5-fluorouracil (CAS NO.110690-43-2) : 3-[[3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl]carbonyl]benzoic acid 6-(benzoyloxy)-3-cyano-2-pyridinyl ester ; 3-[3-(6-Benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl]-1-(ethoxymethyl)-5-fluorouracil ; CNDP ; Emitefur
CAS NO:110690-43-2
Molecular Formula :C28H19FN4O8
Molecular Weight :558.47
Molecular Structure :
Index of Refraction:1.663
Surface Tension: 78.8 dyne/cm
Density: 1.52 g/cm3
Flash Point: 410.5 °C
Enthalpy of Vaporization: 110.02 kJ/mol
Boiling Point: 755.1 °C at 760 mmHg
Vapour Pressure: 1.09E-22 mmHg at 25°C
Melting point: 162 ~ 164°C

Uses

 3-(3-(6-Benzoyloxy-3-cyano-2-pyridyloxy carbonyl)benzoyl)-1-ethoxymethyl-5-fluorouracil (CAS NO.110690-43-2) is an anticancer drug that belongs to the family of drugs called antimetabolites.

Production

Raw materials :N,N-Dimethylformamide-->1,4-Dioxane-->2,6-Dihydroxypyridine-->Isophthaloyl dichloride

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LD50 oral 250mg/kg (250mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
BLOOD: CHANGES IN SPLEEN		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 22, Pg. 81, 1994.
mouse LD50 oral > 5gm/kg (5000mg/kg) GASTROINTESTINAL: OTHER CHANGES
BLOOD: CHANGES IN SPLEEN		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 22, Pg. 81, 1994.
rat LD50 oral 1850mg/kg (1850mg/kg) BLOOD: CHANGES IN SPLEEN
SKIN AND APPENDAGES (SKIN): HAIR: OTHER		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 22, Pg. 81, 1994.
rat LD50 subcutaneous 250mg/kg (250mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 22, Pg. 81, 1994.

 

Safety Profile

A poison by ingestion and subcutaneous routes. Experimental reproductive effects. Mutation data reported. When  3-(3-(6-Benzoyloxy-3-cyano-2-pyridyloxy carbonyl)benzoyl)-1-ethoxymethyl-5-fluorouracil (CAS NO:110690-43-2) is heated to decomposition ,it emits toxic vapors of NOx and F−.