3-[2-[(E)-[3-(2-Carboxyethyl)-5-[(4-Ethyl-3-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-Pyrrol-1-Ium-2-Ylidene]Methyl]-5-[(3-Ethyl-4-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid Chloride
[CAS# 28925-89-5]

Identification

• Name: 3-[2-[(E)-[3-(2-Carboxyethyl)-5-[(4-Ethyl-3-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-Pyrrol-1-Ium-2-Ylidene]Methyl]-5-[(3-Ethyl-4-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid Chloride
• Synonyms: MFCD00216796; Urobilin hydrochloride
• Molecular Formula: C₃₃H₄₃ClN₄O₆
• Molecular Weight: 627.17
• CAS Registry Number: 28925-89-5
• SMILES: [Cl-].O=C1/C(=C(/C)C(N1)CC4=[NH+]\C(=C\c2c(c(c(n2)CC3C(=C(/C(=O)N3)C)\CC)C)CCC(=O)O)\C(=C4C)CCC(=O)O)CC
• InChI: 1S/C33H42N4O6.ClH/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26;/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41);1H/b28-15+
• InChIKey: UAKPOTPFIRRROB-JVIVJJPTSA-N

Properties

• Refractive index: (Cal.)