Ditaurobilirubin
[CAS# 99316-85-5]

Identification

• Name: Ditaurobilirubin
• Synonyms: Disodium 3-Oxo-3-[2-[5-[(E)-(5-Oxo-2-Pyrrolylidene)Methyl]-2-[[5-[(E)-(5-Oxo-2-Pyrrolylidene)Methyl]-3-[3-Oxo-3-(2-Sulfoethylamino)Propyl]-1H-Pyrrol-2-Yl]Methyl]-1H-Pyrrol-3-Yl]Ethylamino]Propane-1-Sulfonic Acid; Disodium 3-Keto-3-[2-[5-[(E)-(5-Keto-3-Pyrr
• Molecular Formula: C₂₉H₃₄N₆Na₂O₁₀S₂
• Molecular Weight: 736.72
• CAS Registry Number: 99316-85-5
• SMILES: C1=C([NH]C(=C1CCNC(=O)CC[S](O)(=O)=O)CC2=C(CCC(=O)NCC[S](O)(=O)=O)C=C([NH]2)\C=C/3NC(=O)C=C3)\C=C\4NC(=O)C=C4.[Na+].[Na+]
• 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,
• InChIKey: SORWZIAILHWTAV-TWNUFSOISA-N