2-Methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-Pyrrole-3-carboxylic acid ethyl ester
[CAS# 5971-80-2]

Identification

• Name: 2-Methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-Pyrrole-3-carboxylic acid ethyl ester
• Synonyms: (5Z)-5-[[5-(2-Chloro-5-Nitro-Phenyl)-2-Furyl]Methylene]-1-(3-Methylphenyl)Hexahydropyrimidine-2,4,6-Trione; (5Z)-5-[[5-(2-Chloro-5-Nitrophenyl)-2-Furyl]Methylene]-1-(3-Methylphenyl)Hexahydropyrimidine-2,4,6-Trione; (5Z)-5-[[5-(2-Chloro-5-Nitro-Phenyl)-2-Furyl]Methylene]-1-(3-Methylphenyl)Barbituric Acid
• Molecular Formula: C₂₂H₁₄ClN₃O₆
• Molecular Weight: 451.82
• CAS Registry Number: 5971-80-2
• SMILES: C1=C(C(=CC=C1[N+](=O)[O-])Cl)C2=CC=C(O2)\C=C3/C(=O)N(C(=O)NC3=O)C4=CC=CC(=C4)C
• InChI: 1S/C22H14ClN3O6/c1-12-3-2-4-13(9-12)25-21(28)17(20(27)24-22(25)29)11-15-6-8-19(32-15)16-10-14(26(30)31)5-7-18(16)23/h2-11H,1H3,(H,24,27,29)/b17-11-
• InChIKey: ZSPQQWNRHGVENO-BOPFTXTBSA-N

Properties

• Density: 1.49g/cm³ (Cal.)