N-(1,2,3,10-Tetramethoxy-9-Oxo-5,6,7,9-Tetrahydrobenzo[a]Heptalen-7-Yl)Acetamide
[CAS# 54192-66-4]

Identification

• Name: N-(1,2,3,10-Tetramethoxy-9-Oxo-5,6,7,9-Tetrahydrobenzo[a]Heptalen-7-Yl)Acetamide
• Synonyms: (S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide; [64-86-8]
• Molecular Formula: C₂₂H₂₅NO₆
• Molecular Weight: 399.44
• CAS Registry Number: 54192-66-4
• SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
• InChI: 1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
• InChIKey: IAKHMKGGTNLKSZ-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 150-160°C (Expl.)
• Boiling point: 726.0±60.0°C at 760 mmHg (Cal.)
• Flash point: 392.9±32.9°C (Cal.)
• solubility: Soluble to 100 mM in water and to 100 mM in DMSO

References

• (1): Manthena V. S. Varma, Khandavilli Sateesh, and Ramesh Panchagnula. Functional Role of P-Glycoprotein in Limiting Intestinal Absorption of Drugs: Contribution of Passive Permeability to P-Glycoprotein Mediated Efflux Transport, Mol. Pharmaceutics 2005, 2(1), 12-21.