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Substance Name: Iron deuteroporphyrin 2,4-bis(glycol)
RN: 119722-97-3
InChIKey: CIWHHGCFJOJITA-OIQDQODFSA-L

Molecular Weight

  • 684.5234
 
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Names and Synonyms

Name of Substance

  • Iron deuteroporphyrin 2,4-bis(glycol)

Synonyms

  • 2,4-Bis(glycol)iron deuteroporphyrin
  • Fe Dpbg

Registry Numbers

CAS Registry Number

  • 119722-97-3

System Generated Number

  • 0119722973

Structure Descriptors

InChI

1S/C34H38N4O8.Fe/c1-15-19(5-7-31(43)44)25-12-26-20(6-8-32(45)46)16(2)22(36-26)10-27-34(30(42)14-40)18(4)24(38-27)11-28-33(29(41)13-39)17(3)23(37-28)9-21(15)35-25;/h9-12,29-30,39-42H,5-8,13-14H2,1-4H3,(H4,35,36,37,38,43,44,45,46);/q;+2/p-2/b21-9-,22-10-,23-9-,24-11-,25-12-,26-12-,27-10-,28-11-;

InChIKey

CIWHHGCFJOJITA-OIQDQODFSA-L

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(CO)O)/C(=C3C(CO)O)C.[Fe+2]