Cobalt protoporphyrin IX

CAS Registry Number®

14325-03-2

CAS Name

Cobalt protoporphyrin IX

Molecular Formula

C34H30CoN4O4.2H

Cite this Page

Cobalt protoporphyrin IX.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14325-03-2 (retrieved 2024-11-22) (CAS RN: 14325-03-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H34N4O4.Co/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);/q;+2/p-2/b25-13-,26-13?,27-14?,28-15?,29-14-,30-15-,31-16-,32-16?;

InChIKey

InChIKey=AQTFKGDWFRRIHR-ADOXYXQCSA-L

SMILES

C(CC([O-])=O)C=1C=2[N-]3[Co+2]45[N]6=C(C2)C(CCC([O-])=O)=C(C)C6=CC=7[N-]4C(C=C8[N]5=C(C=C3C1C)C(C=C)=C8C)=C(C=C)C7C.[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[Co+2]([N]56)([N-]78)[N-]43)C)C)C)CCC(=O)[O-]

Other Names for this Substance

  • Cobaltate(2-), [7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21,κN22,κN23,κN24]-, hydrogen (1:2), (SP-4-2)-
  • Cobaltate(2-), [7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24]-, dihydrogen, (SP-4-2)-
  • Cobalt, [dihydrogen 3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphinedipropionato(2-)]-
  • Cobalt, [dihydrogen protoporphyrin IX-ato(2-)]-
  • Cobaltate(2-), [7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21,κN22,κN23,κN24]-, dihydrogen, (SP-4-2)-

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Deleted or Replaced CAS Registry Numbers

7097-74-7, 13965-24-7

CAS INSIGHTSTM
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