3,22-Dioxo-Vobasan-17-oic acid methyl ester
[CAS# 2779-18-2]

Identification

• Name: 3,22-Dioxo-Vobasan-17-oic acid methyl ester
• Synonyms: Aids-058062; Periformyline; Vobasan-17-Oic Acid, 3,22-Dioxo-, Methyl Ester
• Molecular Formula: C₂₁H₂₂N₂O₄
• Molecular Weight: 366.42
• CAS Registry Number: 2779-18-2
• SMILES: [C@@H]14N(CC(/[C@@H]([C@@H]1C(OC)=O)CC(=O)C3=C(C2=CC=CC=C2[NH]3)C4)=C/C)C=O
• InChI: 1S/C21H22N2O4/c1-3-12-10-23(11-24)17-8-15-13-6-4-5-7-16(13)22-20(15)18(25)9-14(12)19(17)21(26)27-2/h3-7,11,14,17,19,22H,8-10H2,1-2H3/b12-3-/t14-,17-,19-/m0/s1
• InChIKey: NHUKMNGLSAXGDK-HROPKPTCSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 601.404°C at 760 mmHg (Cal.)
• Flash point: 317.518°C (Cal.)