Mimosamycin
[CAS# 59493-94-6]

Identification

• Name: Mimosamycin
• Synonyms: 7-Methoxy-2,6-Dimethyl-Isoquinoline-3,5,8-Trione; 3,5,8(2H)-Isoquinolinetrione, 7-Methoxy-2,6-Dimethyl-; Aids-110134
• Molecular Formula: C₁₂H₁₁NO₄
• Molecular Weight: 233.22
• CAS Registry Number: 59493-94-6
• SMILES: CC2=C(C(=O)C1=CN(C(=O)C=C1C2=O)C)OC
• InChI: 1S/C12H11NO4/c1-6-10(15)7-4-9(14)13(2)5-8(7)11(16)12(6)17-3/h4-5H,1-3H3
• InChIKey: BXQZTMMXFKFJIY-UHFFFAOYSA-N

Properties

• Density: 1.351g/cm³ (Cal.)
• Boiling point: 416.478°C at 760 mmHg (Cal.)
• Flash point: 205.679°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370