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Substance Name: Teslascan
RN: 119797-12-5
InChIKey: OKFIDVBEFUCXQY-UHFFFAOYSA-J

Classification Code

  • Contrast Media

Molecular Formula

  • C22-H26-Mn-N4-O14-P2.4H

Molecular Weight

  • 689.3632
 
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Names and Synonyms

Results Name

  • Teslascan

Name of Substance

  • N,N'-Bis(pyridoxal-5-phosphate)ethylenediamine-N,N'-diacetic acid

Synonyms

  • Manganese dipyridoxyl diphosphate
  • Manganese-dpdp
  • Mn-DPDP
  • N,N'-Bis(pyridoxal-5-phosphate)ethylenediamine-N,N'-diacetic acid
  • Teslascan

Systematic Name

  • Manganate(4-), ((N,N'-1,2-ethanediylbis(N-((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)glycinato))(6-))-, tetrahydrogen

Registry Numbers

CAS Registry Number

  • 119797-12-5

System Generated Number

  • 0119797125

Molecular Formulas

Molecular Formula

  • C22-H26-Mn-N4-O14-P2.4H

Molecular Formula Fragments

  • C22-H26-Mn-N4-O14-P2
  • COMPONENT
  • H

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;+4/p-4

InChIKey

OKFIDVBEFUCXQY-UHFFFAOYSA-J

Smiles

C1[N@@+](Cc2c(c(ncc2COP([O-])(=O)[O-])C)[O-])([Mn+2][N@@+](Cc2c([O-])c(C)ncc2COP([O-])(=O)[O-])(CC(=O)[O-])C1)CC(=O)[O-]