Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 65910Generated: October 23, 2026

Emitefur

BOF-A2 · BOF-A-2 · EMITEFUR · EMITEFUR USP/EP/BP · 3-[[3-(Ethoxymethyl)-5-fluoro-3，6-dihydro-2，6-dioxo-1(2H)-pyrim-idinyl]carbonyl]benzoic acid 6-(benzoyloxy)- 3-cyano-2-pyridinyl ester · 3-[[3-(Ethoxymethyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-1-yl]carbonyl]benzoic acid 6-(benzoyloxy)-3-cyano-2-pyridyl ester · Benzoic acid, 3-[[3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl]carbonyl]-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester · 3-[[[3-(Ethoxymethyl)-5-fluoro-1,2,3,6-tetrahydro-2,6-dioxopyrimidin]-1-yl]carbonyl]benzoic acid 6-(benzoyloxy)-3-cyano-2-pyridinyl ester

https://huagongshe.com/en/chemical/65910

Emitefur molecular structure

Identifiers & Physical Properties

CAS No.110690-43-2
Molecular formulaC28H19FN4O8
Average molar mass558.5 g/mol
Monoisotopic mass558.11869179 g/mol
SMILESCCOCn1cc(F)c(=O)n(C(=O)c2cccc(C(=O)Oc3nc(OC(=O)c4ccccc4)ccc3C#N)c2)c1=O
InChIKeyWTSKMKRYHATLLL-UHFFFAOYSA-N
PubChem CID65910
ChEMBLCHEMBL2104592
DTXSIDDTXSID80149360

Chemical & Physical Properties

XLogP3.6
Topological polar surface area156
Hydrogen bond donors0
Hydrogen bond acceptors11
Rotatable bonds10
Heavy atoms41
Formal charge0
Complexity1,110
Melting point162-164°
Boiling point755.1±70.0 °C(Predicted)
Density1.52±0.1 g/cm3(Predicted)
Storage conditions2-8°C
pKa (acidity coefficient)-5.94±0.40(Predicted)
CAS DataBase Reference110690-43-2
NCI Dictionary of Cancer Termsemitefur
FDA UNII9I50NF4AQ2
ToxicityLD50 in mice, male rats, female rats (mg/kg): >5000, 1850, 1934 orally (Kiroshita)

Safety & Regulations

ToxicityLD50 in mice, male rats, female rats (mg/kg): >5000, 1850, 1934 orally (Kiroshita)

Applications & Uses

Uses

EMITEFUR 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).