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Substance Name: Difelikefalin acetate
RN: 1024829-44-4
UNII: 0P70AR5BYB
InChIKey: MZWHRPKAHCWTOI-KGURMGBCSA-N

Molecular Formula

  • C36-H53-N7-O6.C2-H4-O2

Molecular Weight

  • 739.9093
 
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Names and Synonyms

Name of Substance

  • CR-845 acetate
  • Difelikefalin acetate

Synonyms

  • 4-Amino-1-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysl)-piperidine-4-carboxylic acid, acetate salt
  • CR-845 acetate
  • CR845 acetate
  • Difelikefalin acetate
  • UNII-0P70AR5BYB

Registry Numbers

CAS Registry Number

  • 1024829-44-4

FDA UNII

  • 0P70AR5BYB

System Generated Number

  • 1024829444

Structure Descriptors

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

InChIKey

MZWHRPKAHCWTOI-KGURMGBCSA-N

Smiles

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](CCCCN)C(=O)N3CCC(N)(CC3)C(=O)O.CC(=O)O