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Substance Name: Hematin
RN: 15489-90-4
UNII: 0WP180G15G
InChIKey: BMUDPLZKKRQECS-HXFTUNQESA-K

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Natural Product
  • Organometallic

Molecular Formula

  • C34-H31-Fe-N4-O5.2H

Molecular Weight

  • 633.503
 
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Names and Synonyms

Name of Substance

  • Hematin

Synonyms

  • Bovine hemin
  • EINECS 239-518-9
  • Ferrihemate
  • Ferriheme
  • Ferriheme hydroxide
  • Ferrihemic acid
  • Ferriporphyrin hydroxide
  • Ferriprotoporphyrin basic
  • Ferriprotoporphyrin IX hydroxide
  • Hematin
  • Hydroxy(dihydrogen protoporphyrin IX-ato(2-))iron
  • Hydroxyhemin
  • Phenodin
  • Protohematin
  • UNII-0WP180G15G

Systematic Names

  • Dihydrogen hydroxy(3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphine-2,18-dipropionato(4-)-N21,N22,N23,N24)ferrate(2-)
  • Iron, (dihydrogen 3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphinedipropionato(2-))-hydroxy-

Registry Numbers

CAS Registry Number

  • 15489-90-4

FDA UNII

  • 0WP180G15G

System Generated Number

  • 0015489904

Molecular Formulas

Molecular Formula

  • C34-H31-Fe-N4-O5.2H

Molecular Formula Fragments

  • C34-H31-Fe-N4-O5
  • COMPONENT
  • H

Structure Descriptors

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

BMUDPLZKKRQECS-HXFTUNQESA-K

Smiles

[n-]1c2c(CCC(O)=O)c(c1cc1nc(cc3[n-]c(c(C=C)c3C)cc3nc(c2)C(=C3C)CCC(O)=O)C(=C1C)C=C)C.O[Fe+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 43mg/kg (43mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

BLOOD: HEMORRHAGE
Toxicology Letters. Vol. 2, Pg. 329, 1978.
women TDLo unreported 40mg/kg/30D-I (40mg/kg) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP
Annals of Internal Medicine. Vol. 101, Pg. 877, 1984.