Difelikefalin acetate

Difelikefalin ,also known as D-Phe-D-Phe-D-Leu-D-Lys-[γ-(4-N-piperidinyl)amino carboxylic acid] (as the acetate salt), is an analgesic opioid peptide acting as a peripherally specific, highly selective agonist of the κ-opioid receptor (KOR).

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Catalog Number 10-101-174
Alternative Name(s) CR845 acetate,CR-845 acetate,UNII-0P70AR5BYB, 0P70AR5BYB,
Research Area Difelikefalin is an intravenous agent for the treatment of postoperative pain.
Molecular Formula C38H57N7O8
CAS# 1024829-44-4
Purity >95%
Inchi InChI=1S/C36H53N7O6.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t27-,28-,29-,30-;/m1./s1
Inchi Key MZWHRPKAHCWTOI-KGURMGBCSA-N
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.CC(=O)O
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