Chemical Compound

Difelikefalin

CAS Registry Number1024828-77-0
Difelikefalin chemical structure
Primary record

Difelikefalin

CAS
1024828-77-0
PubChem CID
24794466
SMILES
CC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)(C(=O)O)N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=CC=C3)N
Molecular Formula
C36H53N7O6
Molecular Weight
679.863
Exact Mass
679.4057
InChI
InChI=1S/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/m1/s1
InChIKey
FWMNVWWHGCHHJJ-SKKKGAJSSA-N
LogP
0.8331
TPSA
222.97

Names and synonyms

  • Difelikefalin
  • Korsuva
  • difelicefalina
  • difelikefaline
  • difelikefalinum
  • Kapruvia
  • Difelikefalin [INN]
  • Difelikefalin TFA
  • Difelikefalin (CR845)
  • 1024828-77-0
  • CR845
  • Difelikefalin acetate
  • MR13A9
  • NA1U919MRO
  • RefChem:57567
  • UNII-NA1U919MRO
  • CR-845
  • Difelikefalin (USAN/INN)
  • Difelikefalin [USAN:INN]
  • MR-13A9
  • DIFELIKEFALIN [USAN]
  • SEQ ID NO: 2
  • orb611270
  • FE202845
  • DIFELIKEFALIN [WHO-DD]
  • DTXSID401032896
  • GTPL9044
  • CHEMBL3989915
  • SCHEMBL10316464
  • FE-202845