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Substance Name: Hematoferriheme
RN: 70086-81-6
InChIKey: CJACBYXVYGMBAX-UDHHKLSBSA-K

Molecular Weight

  • 669.532
 
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Names and Synonyms

Name of Substance

  • Hematoferriheme

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70086-81-6

System Generated Number

  • 0070086816

Structure Descriptors

InChI

1S/C34H38N4O6.Fe.H2O/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;;/h11-14,19-20,39-40H,7-10H2,1-6H3,(H4,35,36,37,38,41,42,43,44);;1H2/q;+3;/p-3/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;;

InChIKey

CJACBYXVYGMBAX-UDHHKLSBSA-K

Smiles

[Fe+3].c1(c2cc3nc(cc4[n-]c(c(c4C)[C@@H](O)C)cc4nc(cc(c1C)[n-]2)C([C@@H](C)O)=C4C)C(=C3CCC([O-])=O)C)CCC([O-])=O.[OH-]