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Substance Name: Emitefur [USAN:INN]
RN: 110690-43-2
UNII: 9I50NF4AQ2
InChIKey: WTSKMKRYHATLLL-UHFFFAOYSA-N

Classification Codes

  • Antineoplastic Agents
  • Antineoplastic used in the Treatment of Stomach, Colorectal, Breast, Non-Small Cell Lung, and Pancreatic Cancers (Inhibits DNA Synthesis and RNA Function)
  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C28-H19-F-N4-O8

Molecular Weight

  • 558.476
 
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Names and Synonyms

Name of Substance

  • Emitefur
  • Emitefur [USAN:INN]

Synonyms

  • 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
  • BOF-A2
  • CCRIS 6984
  • Emitefur
  • m-((3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)benzoic acid, 2-ester with 2,6-dihydroxynicotinonitrile benzoate (ester)
  • UNII-9I50NF4AQ2

Systematic Names

  • 3-(3-(6-Benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl)-1-ethoxymethyl-5- fluorouracil
  • Benzoic acid, 3-((3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
  • Benzoic acid, 3-((3-(etoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
  • m-((3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)benzoic acid, 2-ester with 2,6-dihydroxynicotinonitrile, benzoate

Registry Numbers

CAS Registry Number

  • 110690-43-2

FDA UNII

  • 9I50NF4AQ2

System Generated Number

  • 0110690432

Structure Descriptors

InChI

1S/C28H19FN4O8/c1-2-39-16-32-15-21(29)25(35)33(28(32)38)24(34)18-9-6-10-19(13-18)27(37)41-23-20(14-30)11-12-22(31-23)40-26(36)17-7-4-3-5-8-17/h3-13,15H,2,16H2,1H3

InChIKey

WTSKMKRYHATLLL-UHFFFAOYSA-N

Smiles

c1ccc(C(n2c(n(cc(c2=O)F)COCC)=O)=O)cc1C(Oc1c(ccc(n1)OC(c1ccccc1)=O)C#N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LD50 oral 250mg/kg (250mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

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) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BLOOD: CHANGES IN SPLEEN
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 22, Pg. 81, 1994.
rat LD50 subcutaneous 250mg/kg (250mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 22, Pg. 81, 1994.