Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Iron(1+), (N-(6-methyldipyrido(1,2-a:3',2'-d)imidazol-2-yl)-4,19-dioxo-N'-(4-(10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl)phenyl)-5,9,14,18-tetraazadocosane diamidato(2-)-N21,N22,N23,N24)-, chloride, (SP-4-2)-
RN: 87088-16-2
InChIKey: NYICHOVXJJVTHZ-HGPMPKLRSA-K

Molecular Formula

  • C76-H75-Fe-N13-O4.Cl

Molecular Weight

  • 1325.81
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • (SP-4-2)-(N-(6-Methyldipyrido(1,2-a:3',2'-d)imidazol-2-yl)-4,19-dioxo-N'-(4-(10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl)phenyl)-5,9,14,18-tetraazadocosane diamidato(2-)-N21,N22,N23,N24)iron(1+) chloride

Systematic Name

  • Iron(1+), (N-(6-methyldipyrido(1,2-a:3',2'-d)imidazol-2-yl)-4,19-dioxo-N'-(4-(10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl)phenyl)-5,9,14,18-tetraazadocosane diamidato(2-)-N21,N22,N23,N24)-, chloride, (SP-4-2)-

Registry Numbers

CAS Registry Number

  • 87088-16-2

System Generated Number

  • 0087088162

Molecular Formulas

Molecular Formula

  • C76-H75-Fe-N13-O4.Cl

Molecular Formula Fragments

  • C76-H75-Fe-N13-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C76H77N13O4.ClH.Fe/c1-48-11-17-52(18-12-48)71-58-27-29-60(84-58)72(53-19-13-49(2)14-20-53)62-31-33-64(86-62)74(65-34-32-63(87-65)73(61-30-28-59(71)85-61)54-21-15-50(3)16-22-54)55-23-25-56(26-24-55)82-69(92)37-35-67(90)79-43-8-41-77-39-5-6-40-78-42-9-44-80-68(91)36-38-70(93)83-57-46-66-76(81-47-57)89-45-7-10-51(4)75(89)88-66;;/h7,10-34,45-47,77-78H,5-6,8-9,35-44H2,1-4H3,(H6,79,80,82,83,84,85,86,87,90,91,92,93);1H;/q;;+3/p-3/b71-58-,71-59-,72-60-,72-62-,73-61-,73-63-,74-64-,74-65-;;

InChIKey

NYICHOVXJJVTHZ-HGPMPKLRSA-K

Smiles

[ClH-].[Fe+3].[n-]1c2ccc1c(c1ccc(cc1)C)c1nc(c(c3ccc([n-]3)c(c3ccc(cc3)NC(CCC(=O)NCCCNCCCCNCCCNC(=O)CCC(Nc3cc4c(nc3)n3c(c(ccc3)C)n4)=O)=O)c3nc(C=C3)c2c2ccc(cc2)C)c2ccc(cc2)C)C=C1