Ethyl O-(N-(4-Carboxyphenyl)Carbamoyl)Mycophenolate
[CAS# 82970-82-9]

Identification

• Name: Ethyl O-(N-(4-Carboxyphenyl)Carbamoyl)Mycophenolate
• Synonyms: 4-[[5-[(E)-6-Ethoxy-3-Methyl-6-Oxo-Hex-2-Enyl]-6-Methoxy-7-Methyl-3-Oxo-1H-Isobenzofuran-4-Yl]Oxycarbonylamino]Benzoic Acid; 4-[[[5-[(E)-6-Ethoxy-3-Methyl-6-Oxohex-2-Enyl]-6-Methoxy-7-Methyl-3-Oxo-1H-Isobenzofuran-4-Yl]Oxy-Oxomethyl]Amino]Benzoic Acid; 4-[[5-[(E)-6-Ethoxy-6-Keto-3-Methyl-Hex-2-Enyl]-3-Keto-6-Methoxy-7-Methyl-1H-Isobenzofuran-4-Yl]Oxycarbonylamino]Benzoic Acid
• Molecular Formula: C₂₇H₂₉NO₉
• Molecular Weight: 511.53
• CAS Registry Number: 82970-82-9
• SMILES: C3=C(NC(OC1=C2C(=C(C(=C1C\C=C(\CCC(OCC)=O)C)OC)C)COC2=O)=O)C=CC(=C3)C(=O)O
• InChI: 1S/C27H29NO9/c1-5-35-21(29)13-7-15(2)6-12-19-23(34-4)16(3)20-14-36-26(32)22(20)24(19)37-27(33)28-18-10-8-17(9-11-18)25(30)31/h6,8-11H,5,7,12-14H2,1-4H3,(H,28,33)(H,30,31)/b15-6+
• InChIKey: WMGUUQRGSXDDPZ-GIDUJCDVSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 713.521°C at 760 mmHg (Cal.)
• Flash point: 385.324°C (Cal.)