Emitefur

CAS Registry Number®

110690-43-2

CAS Name

Emitefur

Molecular Formula

C28H19FN4O8

Molecular Mass

558.47

Cite this Page

Emitefur.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110690-43-2 (retrieved 2024-11-22) (CAS RN: 110690-43-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    162-164 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

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

InChIKey=WTSKMKRYHATLLL-UHFFFAOYSA-N

SMILES

C(=O)(N1C(=O)N(COCC)C=C(F)C1=O)C2=CC(C(OC3=C(C#N)C=CC(OC(=O)C4=CC=CC=C4)=N3)=O)=CC=C2

Canonical SMILES

N#CC1=CC=C(N=C1OC(=O)C2=CC=CC(=C2)C(=O)N3C(=O)C(F)=CN(C3=O)COCC)OC(=O)C=4C=CC=CC4

Other Names for this Substance

  • Benzoic acid, 3-[[3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl]carbonyl]-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
  • BOF-A 2
  • Emitefur

CAS INSIGHTSTM
Targeted protein degrader structure, illustration