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Substance Name: (N-Methylimidazole)protoheme
RN: 75994-02-4
InChIKey: XUKPQCDEUBPBNI-HXFTUNQESA-L

Molecular Weight

  • 698.601
 
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Names and Synonyms

Name of Substance

  • (N-Methylimidazole)protoheme

Systematic Name

  • Ferrate(2-), (7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N(21),N(22),N(23),N(24))(1-methyl-1H-imidazole-N(3))-, dihydrogen, (SP-5-13)-

Registry Numbers

CAS Registry Number

  • 75994-02-4

System Generated Number

  • 0075994024

Structure Descriptors

InChI

1S/C34H34N4O4.C4H6N2.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;1-6-3-2-5-4-6;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);2-4H,1H3;/q;;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;

InChIKey

XUKPQCDEUBPBNI-HXFTUNQESA-L

Smiles

C1(CCC([O-])=O)=C(c2nc1cc1c(CCC([O-])=O)c(C)c([n-]1)cc1nc(C(=C1C=C)C)cc1[n-]c(c(c1C=C)C)c2)C.[Fe+2].n1(cncc1)C