Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,4,5,8-Tetramethylhemin
RN: 70697-39-1
InChIKey: KGLULXCIGGUJNA-HJVFFCDHSA-K

Molecular Formula

  • C34-H30-Cl-Fe-N4-O4.2H

Molecular Weight

  • 651.9488
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1,4,5,8-Tetramethylhemin

Systematic Name

  • Ferrate(2-), chloro(8,12-diethenyl-3,7,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen, (SP-5-13)-

Registry Numbers

CAS Registry Number

  • 70697-39-1

System Generated Number

  • 0070697391

Molecular Formulas

Molecular Formula

  • C34-H30-Cl-Fe-N4-O4.2H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-27-19(5)23(9-11-33(39)40)31(37-27)16-32-24(10-12-34(41)42)20(6)28(38-32)14-26-18(4)22(8-2)30(36-26)15-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-14-,27-13-,28-14-,29-15-,30-15-,31-16-,32-16-;;

InChIKey

KGLULXCIGGUJNA-HJVFFCDHSA-K

Smiles

[H+].[H+].Cc1/c/2c/c3n/c(c\c4c(c(c([n-]4)/cc/5\nc(/cc(/c1CCC(=O)[O-])\[n-]2)C(=C5C)CCC(=O)[O-])C)C=C)/C(=C3C)C=C.[Cl-].[Fe+3]