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Substance Name: Cytohemin
RN: 19554-22-4
UNII: 1UFX6GAR2W
InChIKey: MFKKTOIHZDCGRI-CCQDZKQJSA-K

Molecular Formula

  • C49-H56-N4-O6.Cl.Fe

Molecular Weight

  • 888.3014
 
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Names and Synonyms

Name of Substance

  • Cytohemin

Synonyms

  • Cytohemin
  • Cytohemin [MI]
  • Ferrate(2-), chloro((4E,8E)-7-ethenyl-17-formyl-12-(1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrienyl)-3,8,13-trimethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kappaN21,kappaN22,kappaN23,kappaN24)-, dihydrogen, (sp-5-13)-
  • Ferric heme A chloride
  • UNII-1UFX6GAR2W

Registry Numbers

CAS Registry Number

  • 19554-22-4

FDA UNII

  • 1UFX6GAR2W

System Generated Number

  • 0019554224

Structure Descriptors

InChI

1S/C49H58N4O6.ClH.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);1H;/q;;+3/p-3/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;;

InChIKey

MFKKTOIHZDCGRI-CCQDZKQJSA-K

Smiles

Cc1/c/2c/c3n/c(c\c4c(c(c([n-]4)/cc/5\nc(/cc(/c1CCC(=O)O)\[n-]2)C(=C5C=O)CCC(=O)O)C)C(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)/C(=C3C=C)C.[Cl-].[Fe+3]