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Substance Name: Manganese (III) hematoporphyrin
RN: 69997-72-4
InChIKey: DSGJFYJFXDJHCD-IDTMDVKXSA-K

Note

  • Potential MR contrast agent.

Molecular Weight

  • 650.61
 
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Names and Synonyms

Name of Substance

  • Manganese (III) hematoporphyrin

Synonym

  • Mn(III) Hematoporphyrin

Systematic Name

  • Manganate(1-), (7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H-23H-porphine-2,18-dipropanoato(2-)-N21,N22,N23,N24)-, hydrogen, (SP-4-2)-

Registry Numbers

CAS Registry Number

  • 69997-72-4

System Generated Number

  • 0069997724

Structure Descriptors

InChI

1S/C34H38N4O6.Mn/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20,39-40H,7-10H2,1-6H3,(H4,35,36,37,38,41,42,43,44);/q;+3/p-3/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;

InChIKey

DSGJFYJFXDJHCD-IDTMDVKXSA-K

Smiles

c1(c(c2cc3C(=C(c(cc4c(c(c([n-]4)cc4nc(cc1[n-]2)C(CCC([O-])=O)=C4C)C)[C@@H](O)C)n3)C)[C@@H](C)O)C)CCC([O-])=O.[Mn+3]