Ifetroban

CAS Registry Number®

143443-90-7

CAS Name

Ifetroban

Molecular Formula

C25H32N2O5

Molecular Mass

440.53

Cite this Page

Ifetroban.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=143443-90-7 (retrieved 2024-11-22) (CAS RN: 143443-90-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1

InChIKey

InChIKey=BBPRUNPUJIUXSE-DXKRWKNPSA-N

SMILES

C([C@@H]1[C@@H]([C@@]2(O[C@]1(CC2)[H])[H])C3=NC(C(NCCCCC)=O)=CO3)C4=C(CCC(O)=O)C=CC=C4

Canonical SMILES

O=C(O)CCC=1C=CC=CC1CC2C3OC(CC3)C2C4=NC(=CO4)C(=O)NCCCCC

Other Names for this Substance

  • Benzenepropanoic acid, 2-[[(1S,2R,3S,4R)-3-[4-[(pentylamino)carbonyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]-
  • Benzenepropanoic acid, 2-[[3-[4-[(pentylamino)carbonyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]-, [1S-(exo,exo)]-
  • 7-Oxabicyclo[2.2.1]heptane, benzenepropanoic acid deriv.
  • 2-[[(1S,2R,3S,4R)-3-[4-[(Pentylamino)carbonyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]benzenepropanoic acid
  • BMS 180291

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration