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Substance Name: Ditaurobilirubin disodium
RN: 68683-34-1
InChIKey: LTDAEPVPPSNLBE-GZEZKBSUSA-L

Molecular Formula

  • C37-H46-N6-O10-S2.2Na

Molecular Weight

  • 842.899
 
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Names and Synonyms

Results Name

  • Ditaurobilirubin disodium

Synonyms

  • Ditaurobilirubin, disodium
  • Ditaurobilirubin, disodium salt
  • EINECS 272-072-3

Systematic Names

  • Disodium 2,2'-((1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-2,17-divinyl-21H-biline-8,12-diyl)bis((1-oxopropane-3,1-diyl)imino))bis(ethane-1-sulphonate)
  • Ethanesulfonic acid, 2,2'-((2,17-diethenyl-1,10,11,19,22,23-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-diyl)bis((1-oxo-3,1-propanediyl)imino))bis-, disodium salt
  • Ethanesulfonic acid, 2,2'-((2,17-diethenyl-1,10,11,19,22,23-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-diyl)bis((1-oxo-3,1-propanediyl)imino))bis-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 68683-34-1

Other Registry Numbers

  • 108518-45-2
  • 109839-84-1
  • 79002-15-6

Related Registry Number

  • 89771-93-7 (Parent)

System Generated Number

  • 0068683341

Molecular Formulas

Molecular Formula

  • C37-H46-N6-O10-S2.2Na

Molecular Formula Fragments

  • C37-H46-N6-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H46N6O10S2.2Na/c1-7-24-23(6)36(46)43-31(24)18-29-22(5)27(10-12-35(45)39-14-16-55(51,52)53)33(41-29)19-32-26(9-11-34(44)38-13-15-54(48,49)50)21(4)28(40-32)17-30-20(3)25(8-2)37(47)42-30;;/h7-8,17-18,33,40-41H,1-2,9-16,19H2,3-6H3,(H,38,44)(H,39,45)(H,42,47)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2/b29-18+,30-17+;;

InChIKey

LTDAEPVPPSNLBE-GZEZKBSUSA-L

Smiles

[nH]1c(c(CCC(=O)NCCS([O-])(=O)=O)c(C)c1\C=C1\NC(C(=C1C)C=C)=O)C[C@@H]1C(=C(C(\N1)=C\C=1C(=C(C(N1)=O)C)C=C)C)CCC(NCCS([O-])(=O)=O)=O.[Na+].[Na+]