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Substance Name: Mangafodipir [INN:BAN]
RN: 155319-91-8
UNII: N02W67RKJS
InChIKey: CXFKOLCMCRBYPL-UHFFFAOYSA-L

Molecular Formulas

  • C22-H24-Mn-N4-O14-P2.6H
  • C22-H30-Mn-N4-O14-P2

Molecular Weight

  • 691.379
 
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Names and Synonyms

Name of Substance

  • Mangafodipir [INN:BAN]

Synonyms

  • Hexahydrogen (OC-6-13)-((N,N'-ethylenebis(N-((3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl)methyl)glycine) 5,5'-bis(phosphato))(8-))manganate(6-)
  • Mangafodipir
  • UNII-N02W67RKJS

Systematic Names

  • Hexahydrogen(OC-6-13)-((N,N''-ethylenebis(N-((3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl)methyl)glycine)5,5'-bis(phosphato))(8-)manganate(6-)
  • Manganate(6-), ((N,N'-1,2-ethanediylbis[N-((3-(hydroxy-kappaO)-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl]glycinato-kappaN,kappaO))(8-))-, hexahydrogen, (OC-6-13)-

Registry Numbers

CAS Registry Number

  • 155319-91-8

FDA UNII

  • N02W67RKJS

System Generated Number

  • 0155319918

Molecular Formulas

Molecular Formulas

  • C22-H24-Mn-N4-O14-P2.6H
  • C22-H30-Mn-N4-O14-P2

Molecular Formula Fragments

  • C22-H24-Mn-N4-O14-P2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C22H32N4O14P2.Mn/c1-13-21(31)15(5-17(23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-16-6-18(12-40-42(36,37)38)24-14(2)22(16)32;/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);/q;+2/p-2

InChIKey

CXFKOLCMCRBYPL-UHFFFAOYSA-L

Smiles

Cc1c(c(cc(n1)COP(=O)(O)[O-])CN(CCN(Cc2cc(nc(c2O)C)COP(=O)(O)[O-])CC(=O)O)CC(=O)O)O.[Mn+2]