Zinc mesoporphyrin

CAS Registry Number®

14354-67-7
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CAS Name

Zinc mesoporphyrin

Molecular Formula

C34H34N4O4Zn.2H

Cite this Page

Zinc mesoporphyrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14354-67-7 (retrieved 2024-05-11) (CAS RN: 14354-67-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H38N4O4.Zn/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;/h13-16H,7-12H2,1-6H3,(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=YQJXHPBQEBGWBG-ADOXYXQCSA-L

SMILES

C(CC([O-])=O)C=1C=2[N-]3[Zn+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(CC)=C8C)=C(CC)C7C.[H+]

Canonical SMILES

[H+].O=C([O-])CCC=1C=2C=C3C(=C(C4=CC=5C(=C(C6=CC7=C(C(=C8C=C(C1C)[N]2[Zn+2]([N]65)([N-]87)[N-]43)C)CC)C)CC)C)CCC(=O)[O-]

Other Names for this Substance

  • Zincate(2-), [7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21,κN22,κN23,κN24]-, hydrogen (1:2), (SP-4-2)-
  • Zinc, [dihydrogen 7,12-diethyl-3,8,13,17-tetramethyl-2,18-porphinedipropionato(2-)]-
  • Zincate(2-), [7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24]-, dihydrogen, (SP-4-2)-
  • Zinc, [dihydrogen mesoporphyrinato(2-)]-
  • Mesoporphyrin, zinc deriv.

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Deleted or Replaced CAS Registry Numbers

133472-16-9, 21294-17-7, 222016-60-6

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