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Substance Name: Deuteroheme
RN: 18922-88-8
InChIKey: QQYZTXBVPVYDJC-RWRCOHKGSA-L

Molecular Formula

  • C30-H26-Fe-N4-O4.2H

Molecular Weight

  • 564.42
 
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Names and Synonyms

Name of Substance

  • Deuteroheme

Systematic Name

  • Ferrate(2-), (3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen, (SP-4-2)-

Registry Numbers

CAS Registry Number

  • 18922-88-8

System Generated Number

  • 0018922888

Molecular Formulas

Molecular Formula

  • C30-H26-Fe-N4-O4.2H

Molecular Formula Fragments

  • C30-H26-Fe-N4-O4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C30H30N4O4.Fe/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);/q;+2/p-2/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;

InChIKey

QQYZTXBVPVYDJC-RWRCOHKGSA-L

Smiles

C(c1c(c2[n-]c1cc1nc(C(=C1CCC([O-])=O)C)cc1[n-]c(cc3nc(c2)C(C)=C3)c(c1)C)C)CC([O-])=O.[Fe+2]