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Substance Name: Ditaurobilirubin
RN: 99316-85-5
InChIKey: SORWZIAILHWTAV-TWNUFSOISA-N

Molecular Formula

  • C29-H34-N6-O10-S2.2Na

Molecular Weight

  • 736.732
 
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Names and Synonyms

Name of Substance

  • Ditaurobilirubin

Systematic Name

  • Ethanesulfonic acid, 2,2'-((1,10,19,22,23,24-hexahydro-1,19-dioxo-21H-biline-8,12-diyl)bis((1-oxo-3,1-propanediyl)imino))bis-, disodium salt, (Z,Z)-

Registry Numbers

CAS Registry Number

  • 99316-85-5

System Generated Number

  • 0099316855

Molecular Formulas

Molecular Formula

  • C29-H34-N6-O10-S2.2Na

Molecular Formula Fragments

  • C29-H34-N6-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H34N6O10S2.2Na/c36-26(31-10-12-47(43,44)45)4-1-18-13-22(15-20-2-5-28(38)34-20)32-24(18)17-25-19(7-9-30-27(37)8-11-46(40,41)42)14-23(33-25)16-21-3-6-29(39)35-21;;/h2-3,5-6,13-16,32-33H,1,4,7-12,17H2,(H,30,37)(H,31,36)(H,34,38)(H,35,39)(H,40,41,42)(H,43,44,45);;/q;2*+1/b20-15+,21-16-;;

InChIKey

SORWZIAILHWTAV-TWNUFSOISA-N

Smiles

S(O)(=O)(=O)CCC(NCCc1c(Cc2c(cc(\C=C3\NC(C=C3)=O)[nH]2)CCC(=O)NCCS(O)(=O)=O)[nH]c(c1)\C=C1/NC(C=C1)=O)=O.[Na+].[Na+]