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Substance Name: Hemin
RN: 16009-13-5
UNII: 743LRP9S7N
InChIKey: VKNXFYCALNHRLL-HXFTUNQESA-M

Note

  • Chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N(21),N(22),N(23),N(24)) ferrate(2-) dihydrogen.

Molecular Formulas

  • C34-H30-Cl-Fe-N4-O4.2H
  • C34-H32-Cl-Fe-N4-O4

Molecular Weight

  • 653.9646
 
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Names and Synonyms

Name of Substance

  • Hemin

MeSH Heading

  • Hemin

Synonyms

  • AI3-18784
  • Alkaline Hematin D-575
  • CCRIS 7061
  • Chlorohemin
  • Chloroprotoferrihem
  • Chloroprotohemin
  • EINECS 240-140-1
  • Ferrihaem
  • Ferriheme
  • Ferriporphyrin chloride
  • Ferriprotoporphyrin
  • Hematin
  • Hemin
  • Hemin IX
  • NSC 122707
  • Panhematin
  • Protoferriheme
  • Protohemin
  • Protohemin IX
  • Teichmanns crystals
  • UNII-743LRP9S7N

Systematic Names

  • Ferrate(2-), chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kappaN21,kappaN22,kappaN23,kappaN24)-, dihydrogen, (SP-5-13)-
  • Ferrate(2-), chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kappaN21,kappaN22,kappaN23,kappaN24)-, hydrogen (1:2), (SP-5-13)-
  • Ferrate(2-), chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen
  • Ferrate(2-), chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen, (SP-5-13)-
  • Hemin

Registry Numbers

CAS Registry Number

  • 16009-13-5

FDA UNII

  • 743LRP9S7N

Other Registry Numbers

  • 1160714-75-9
  • 13408-65-6
  • 15489-47-1
  • 20814-13-5
  • 210561-76-5
  • 35-08-5
  • 58248-97-8
  • 63452-72-2
  • 79266-76-5
  • 83603-95-6

System Generated Number

  • 0016009135

Molecular Formulas

Molecular Formulas

  • C34-H30-Cl-Fe-N4-O4.2H
  • C34-H32-Cl-Fe-N4-O4

Molecular Formula Fragments

  • C34-H30-Cl-Fe-N4-O4
  • COMPONENT
  • H

Structure Descriptors

InChI

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

InChIKey

VKNXFYCALNHRLL-HXFTUNQESA-M

Smiles

[H+].[H+].[Cl-][Fe+3]123[NH]4=C5C=C6C(=C(CCC(=O)[O-])C(=CC7=[NH]1C(=CC8=C(C=C)C(=C(C=C4C(=C5C)C=C)[N-]28)C)C(=C7CCC(=O)[O-])C)[N-]36)C