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Substance Name: Manganese dipyridoxal diphosphate
RN: 118248-94-5
InChIKey: QDQFSBKXQQZVTB-UHFFFAOYSA-F

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-Mn-N4-O14-P2

Molecular Weight

  • 685.3316
 
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Names and Synonyms

Results Name

  • Manganese dipyridoxal diphosphate

Synonyms

  • Glycine, N,N'-1,2-ethanediylbis(N-((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)-, manganese complex
  • Manganese dipyridoxal diphosphate
  • Mn-DPDP

Systematic Names

  • Manganate(6-), ((N,N'-1,2-ethanediylbis(N-((3-(hydroxy-kappaO)-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)glycinato-kappaN,kappaO))(8-))-, (OC-6-13)-
  • Manganate(6-), ((N,N'-1,2-ethanediylbis(N-((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)glycinato))(8-))-, (OC-6-13)-

Registry Numbers

CAS Registry Number

  • 118248-94-5

System Generated Number

  • 0118248945

Structure Descriptors

InChI

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

InChIKey

QDQFSBKXQQZVTB-UHFFFAOYSA-F

Smiles

Cc1c(c(c(cn1)COP(=O)([O-])[O-])CN(CCN(Cc2c(cnc(c2[O-])C)COP(=O)([O-])[O-])CC(=O)[O-])CC(=O)[O-])[O-].[Mn+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2672mg/kg (2672mg/kg)   Acta Radiologica, Supplementum. Vol. 394, Pg. 48, 1994.