4-{4-[(3-Acetamidopropyl)(acetyl)amino]butyl}-2-(4-acetoxybenzyl)-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-15-yl acetate
[CAS# 69721-70-6]

Identification

• Name: 4-{4-[(3-Acetamidopropyl)(acetyl)amino]butyl}-2-(4-acetoxybenzyl)-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-15-yl acetate
• Synonyms: 4-(4-(Acetyl[3-(acetylamino)propyl]amino)butyl)-2-[4-(acetyloxy)benzyl]-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-15-yl acetate #; Acetamide, N-[3-(acetylamino)propyl]-N-[4-[15-(acetyloxy)-2-[[4-(acetyloxy)phenyl]methyl]-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]butyl]-; N(6),N(10),O(16),O(34)-Tetraacetyl-100,11,16,17-tetrahydro-10,11-seco-16,17-secoaphelandrine
• Molecular Formula: C₃₆H₄₈N₄O₈
• Molecular Weight: 664.79
• CAS Registry Number: 69721-70-6
• SMILES: O=C(Oc1ccc(cc1)CC3C(=O)N(CCCNC(=O)CCc2ccc(OC(=O)C)c3c2)CCCCN(C(=O)C)CCCNC(=O)C)C
• InChI: 1S/C36H48N4O8/c1-25(41)37-17-7-21-39(26(2)42)19-5-6-20-40-22-8-18-38-35(45)16-12-30-11-15-34(48-28(4)44)32(23-30)33(36(40)46)24-29-9-13-31(14-10-29)47-27(3)43/h9-11,13-15,23,33H,5-8,12,16-22,24H2,1-4H3,(H,37,41)(H,38,45)
• InChIKey: XODFPPLZPPTIDK-UHFFFAOYSA-N

Properties

• Density: 1.161g/cm³ (Cal.)
• Boiling point: 909.76°C at 760 mmHg (Cal.)
• Flash point: 504.005°C (Cal.)