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Substance Name: Taurobilirubin
RN: 39084-19-0
InChIKey: HUNAVOWVTVDPPG-YUEVPUCCSA-N

Molecular Formula

  • C37-H46-N6-O10-S2

Molecular Weight

  • 798.934
 
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Names and Synonyms

Name of Substance

  • Taurobilirubin

Systematic Name

  • 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-

Registry Numbers

CAS Registry Number

  • 39084-19-0

System Generated Number

  • 0039084190

Structure Descriptors

InChI

1S/C37H46N6O10S2/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)/b29-18-,30-17+

InChIKey

HUNAVOWVTVDPPG-YUEVPUCCSA-N

Smiles

N1=C(C(=C(C1=O)C)C=C)\C=C1/N[C@@H](Cc2c(CCC(NCCS(O)(=O)=O)=O)c(C)c(\C=C3/C(C)=C(C(N3)=O)C=C)[nH]2)C(=C1C)CCC(=O)NCCS(O)(=O)=O