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Substance Name: (N-(2-((4-((2-((4-(9-Acridinylamino)phenyl)amino)-2-oxoethyl)amino)-4-oxobutyl)amino)-1-(1H-imidazol-4-ylmethyl)-1-oxoethyl)-6-(((-2-aminoethyl)amino)methyl)-2-pyridinecarboxamidato) iron(1+)
RN: 110340-32-4
InChIKey: PMEIIHVFQRXTRB-UHFFFAOYSA-M

Molecular Formula

  • C40-H42-Fe-N11-O4

Molecular Weight

  • 796.6898
 
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Names and Synonyms

Name of Substance

  • (N-(2-((4-((2-((4-(9-Acridinylamino)phenyl)amino)-2-oxoethyl)amino)-4-oxobutyl)amino)-1-(1H-imidazol-4-ylmethyl)-1-oxoethyl)-6-(((-2-aminoethyl)amino)methyl)-2-pyridinecarboxamidato) iron(1+)

Synonym

  • AGGA

Systematic Name

  • Iron(1+), (N-(2-((4-((2-((4-(9-acridinylamino)phenyl)amino)-2-oxoethyl)amino)-4-oxobutyl)amino)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-6-(((2-aminoethyl)amino)methyl)-2-pyridinecarboxamidato)-, (SP-5-52-(S))-

Registry Numbers

CAS Registry Number

  • 110340-32-4

System Generated Number

  • 0110340324

Structure Descriptors

InChI

1S/C40H43N11O4.Fe/c41-18-20-42-22-28-7-5-12-34(47-28)40(55)51-35(21-29-23-43-25-46-29)39(54)44-19-6-13-36(52)45-24-37(53)48-26-14-16-27(17-15-26)49-38-30-8-1-3-10-32(30)50-33-11-4-2-9-31(33)38;/h1-5,7-12,14-17,23,25,35,42H,6,13,18-22,24,41H2,(H6,43,44,45,46,47,48,49,50,51,52,53,54,55);/q;+2/p-1

InChIKey

PMEIIHVFQRXTRB-UHFFFAOYSA-M

Smiles

c1ccc2c(c1)c(c3ccccc3n2)Nc4ccc(cc4)NC(=O)CNC(=O)CCCNC(=O)C(Cc5c[nH]cn5)[N-]C(=O)c6cccc(n6)CNCCN.[Fe+2]