Completing data — usually done within a minute
Basic information
- Standard SMILES
CCOCn1cc(F)c(=O)n(C(=O)c2cccc(C(=O)Oc3nc(OC(=O)c4ccccc4)ccc3C#N)c2)c1=O- InChIKey
WTSKMKRYHATLLL-UHFFFAOYSA-N- Molecular formula
- C28H19FN4O8
- Average molar mass
- 558.478 g/mol
- Monoisotopic mass
- 558.11869179
Names & identifiers
- Preferred name
- Emitefur
- IUPAC
- 6-(Benzoyloxy)-3-cyanopyridin-2-yl 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxo-3,6-dihydropyrimidine-1(2H)-carbonyl]benzoate
- English name
- EMITEFUR
- Molecular formula
- C28H19FN4O8
- Molecular weight
- 558.47
Names & synonyms
BOF-A2BOF-A-2EMITEFUREMITEFUR USP/EP/BP3-[[3-(Ethoxymethyl)-5-fluoro-3，6-dihydro-2，6-dioxo-1(2H)-pyrim-idinyl]carbonyl]benzoic acid 6-(benzoyloxy)- 3-cyano-2-pyridinyl ester3-[[3-(Ethoxymethyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-1-yl]carbonyl]benzoic acid 6-(benzoyloxy)-3-cyano-2-pyridyl esterBenzoic acid, 3-[[3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl]carbonyl]-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester3-[[[3-(Ethoxymethyl)-5-fluoro-1,2,3,6-tetrahydro-2,6-dioxopyrimidin]-1-yl]carbonyl]benzoic acid 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
Database identifiers
- CAS
110690-43-2- PubChem CID
- 65910
- DTXSID
DTXSID80149360- ChEMBL
CHEMBL2104592- UNII
- 9I50NF4AQ2
- Nikkaji
- J365.812K
Properties
Physicochemical properties
- Melting point
- 162 · 162-164°
- Boiling point
- 755.1 · 755.1±70.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -5.94 · -5.94±0.40(Predicted)
- CAS DataBase Reference
- 110690 · 110690-43-2
- NCI Dictionary of Cancer Terms
- emitefur
- FDA UNII
- 9 I50NF4AQ2 · 9I50NF4AQ2
- Toxicity
- 50 in · LD50 in mice, male rats, female rats (mg/kg): >5000, 1850, 1934 orally (Kiroshita)
Safety & regulation
Safety data
- Toxicity
- LD50 in mice, male rats, female rats (mg/kg): >5000, 1850, 1934 orally (Kiroshita)
Chemistry & industry
Applications
UsesEMITEFUR is used for antineoplastic, it is used in the treatment of stomach, colorectal, breast, nonsmall cell lung, and pancreatic cancers (inhibits DNA synthesis and RNA function).
Upstream & downstream products
Upstream raw materials
Suppliers7 total
LGM Pharma1-(800)-881-8210 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
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Linked notes
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