Stercobilin Hydrochloride
[CAS# 34217-90-8]

Identification

• Name: Stercobilin Hydrochloride
• Synonyms: 3-[2-[[3-(2-Carboxyethyl)-5-[(3-Ethyl-4-Methyl-5-Oxopyrrolidin-2-Yl)Methyl]-4-Methylpyrrol-2-Ylidene]Methyl]-5-[(4-Ethyl-3-Methyl-5-Oxopyrrolidin-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[(E)-[3-(2-Carboxyethyl)-5-[(3-Ethyl-4-Methyl-5-Oxo-Pyrrolidin-2-Yl)Methyl]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-5-[(4-Ethyl-3-Methyl-5-Oxo-Pyrrolidin-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[[3-(2-Carboxyethyl)-5-[(3-Ethyl-4-Methyl-5-Oxo-Pyrrolidin-2-Yl)Methyl]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-5-[(4-Ethyl-3-Methyl-5-Oxo-Pyrrolidin-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
• Molecular Formula: C₃₃H₄₆N₄O₆
• Molecular Weight: 594.75
• CAS Registry Number: 34217-90-8
• EINECS: 251-887-8
• SMILES: C(C1NC(=O)C(C1C)CC)C2=C(C(=C([NH]2)\C=C/4N=C(CC3NC(=O)C(C3CC)C)C(=C4CCC(O)=O)C)CCC(O)=O)C
• InChI: 1S/C33H46N4O6/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/h15-16,19-21,26-27,34H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b29-15+
• InChIKey: TYOWQSLRVAUSMI-WKULSOCRSA-N

Properties

• Density: 1.333g/cm³ (Cal.)
• Boiling point: 862.452°C at 760 mmHg (Cal.)
• Flash point: 475.394°C (Cal.)