Products 69853-42-5

CAS 69853-42-5 is the registry number for Bilirubin Impurity 4. Offered by: Chemat Brand. Available pack sizes: on request.

Structural formula: {0} (CAS {1})

3-[2-[[3-(2-carboxyethyl)-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid (CAS 69853-42-5) is a chemical compound with the molecular formula C33H36N4O6 and a molecular weight of 584.7 g/mol. IUPAC name: 3-[2-[[3-(2-carboxyethyl)-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid. InChIKey: BPYKTIZUTYGOLE-DVTPEJFLSA-N.

Identity
Molecular formulaC33H36N4O6
Molecular weight584.7 g/mol
IUPAC name3-[2-[[3-(2-carboxyethyl)-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
InChIKeyBPYKTIZUTYGOLE-DVTPEJFLSA-N
SMILESCC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C/3\C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)C=C4C(=C(C(=O)N4)C=C)C

Computed by PubChem (NCBI)