Hematin

CAS Registry Number®

15489-90-4

CAS Name

Hematin

Molecular Formula

C34H31FeN4O5.2H

Cite this Page

Hematin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15489-90-4 (retrieved 2024-12-21) (CAS RN: 15489-90-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H34N4O4.Fe.H2O/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;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13-,26-13?,27-14?,28-15?,29-14-,30-15-,31-16-,32-16?;;

InChIKey

InChIKey=BMUDPLZKKRQECS-KKXYAJQKSA-K

SMILES

[OH-][Fe+3]123[N-]4C5=CC6=[N]1C(=CC=7[N-]2C(C=C8[N]3=C(C=C4C(C)=C5CCC([O-])=O)C(C=C)=C8C)=C(C=C)C7C)C(C)=C6CCC([O-])=O.[H+]

Canonical SMILES

[H+].O=C([O-])CCC=1C2=CC3=C(C(=C4C=C5C(C=C)=C(C=6C=C7C(C=C)=C(C8=CC(C1C)=[N]2[Fe+3]([OH-])([N]56)([N-]78)[N-]43)C)C)C)CCC(=O)[O-]

Other Names for this Substance

  • Ferrate(2-), [7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21,κN22,κN23,κN24]hydroxy-, hydrogen (1:2), (SP-5-13)-
  • Hematin
  • Iron, [dihydrogen 3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphinedipropionato(2-)]hydroxy-
  • Ferrate(2-), [7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24]hydroxy-, dihydrogen, (SP-5-13)-
  • Ferrihemic acid

View All

Deleted or Replaced CAS Registry Numbers

11013-41-5, 13408-64-5, 14654-28-5, 58592-27-1

CAS INSIGHTSTM
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