Products 89771-93-7
CAS 89771-93-7 is the registry number for Bilirubin ditaurine. Offered by: MedChemExpress. Available pack sizes: Get quote.
2-[3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid (CAS 89771-93-7) is a chemical compound with the molecular formula C37H46N6O10S2 and a molecular weight of 798.9 g/mol. IUPAC name: 2-[3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid. InChIKey: BXTIMASCUMQAFQ-VYTBREFCSA-N.
| Molecular formula | C37H46N6O10S2 |
|---|---|
| Molecular weight | 798.9 g/mol |
| IUPAC name | 2-[3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid |
| InChIKey | BXTIMASCUMQAFQ-VYTBREFCSA-N |
| SMILES | CC1=C(NC(=C1CCC(=O)NCCS(=O)(=O)O)CC2=C(C(=C(N2)/C=C/3\NC(=O)C(=C3C=C)C)C)CCC(=O)NCCS(=O)(=O)O)/C=C/4\NC(=O)C(=C4C=C)C |
Computed by PubChem (NCBI)