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Substance Name: Ferric-N-(3-phenylglutaryl)desferrioxamine B
RN: 134001-02-8
InChIKey: VQGUIMBJPIIVIR-UHFFFAOYSA-N

Note

  • MRI contrast agent.

Molecular Formula

  • C36-H54-Fe-N6-O11.H

Molecular Weight

  • 803.7065
 
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Names and Synonyms

Name of Substance

  • Ferric-N-(3-phenylglutaryl)desferrioxamine B

Synonym

  • Fe-Pgdf

Systematic Name

  • Ferrate(1-), (3,14,25-trihydrozy-2,10,13,21,24,32-hexaoxo-34-phenyl-3,9,14,20,25,31-hexaazahexatriacontan-36-oato(4-)-O2,O3,O13,O14,O24,O25)-, hydrogen

Registry Numbers

CAS Registry Number

  • 134001-02-8

System Generated Number

  • 0134001028

Molecular Formulas

Molecular Formula

  • C36-H54-Fe-N6-O11.H

Molecular Formula Fragments

  • C36-H54-Fe-N6-O11
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C36H55N6O11.Fe/c1-28(43)40(51)23-11-3-8-20-37-31(44)16-18-34(47)41(52)24-12-4-9-21-38-32(45)17-19-35(48)42(53)25-13-5-10-22-39-33(46)26-30(27-36(49)50)29-14-6-2-7-15-29;/h2,6-7,14-15,30H,3-5,8-13,16-27H2,1H3,(H,37,44)(H,38,45)(H,39,46)(H,49,50);/q-3;+3

InChIKey

VQGUIMBJPIIVIR-UHFFFAOYSA-N

Smiles

[H+].CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CC(CC(=O)[O-])c1ccccc1)[O-])[O-])[O-].[Fe+3]