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Substance Name: 21H,23H-Prophine, benzenesulfonic acid deriv., iron complex
RN: 91042-29-4
InChIKey: OGVMMDXMRXFSNP-GVHKZQBISA-J

Molecular Formula

  • C44-H24-Fe-N4-O12-S4.3Na

Molecular Weight

  • 1053.7686
 
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Names and Synonyms

Results Name

  • 21H,23H-Prophine, benzenesulfonic acid deriv., iron complex

Synonyms

  • 21H,23H-Prophine, benzenesulfonic acid deriv., iron complex
  • Benzenesulfonic acid, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, iron

Systematic Name

  • Ferrate(3-), ((4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonato))(6)-N(sup 21),N(sup 22),N(sup 23),N(sup 24)-, trisodium, (SP-4-1)-

Registry Numbers

CAS Registry Number

  • 91042-29-4

System Generated Number

  • 0091042294

Molecular Formulas

Molecular Formula

  • C44-H24-Fe-N4-O12-S4.3Na

Molecular Formula Fragments

  • C44-H24-Fe-N4-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H28N4O12S4.Fe.3Na/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;;;;/h1-24H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q-2;+3;3*+1/p-4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;

InChIKey

OGVMMDXMRXFSNP-GVHKZQBISA-J

Smiles

[Na+].[Na+].[Na+].O=S1(=O)O[Fe-3]2345OS(=O)(=O)c6ccc(cc6)\C\7=C\8/C=C\C(=C(\C9=N\C(=C(\c%10ccc(cc%10)S(=O)(=O)O2)/c%11ccc(\C(=C/%12\C=CC7=N%12)\c%13ccc(cc%13)S(=O)(=O)O3)n4%11)\C=C9)/c%14ccc1cc%14)\N58

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 120mg/kg (120mg/kg)   Zhurnal Eksperimental'noi i Klinicheskoi Meditsiny. Journal of Experimental and Clinical Medicine. Vol. 24, Pg. 511, 1984.