Antioquine
[CAS# 93767-27-2]

Identification

• Name: Antioquine
• Synonyms: Rodiasine, O7-Demethyl-
• Molecular Formula: C₃₇H₄₀N₂O₆
• Molecular Weight: 608.73
• CAS Registry Number: 93767-27-2
• SMILES: [C@@H]17N(CCC2=C1C(=C(O)C(=C2)OC)OC4=C(OC)C=C3[C@H](N(CCC3=C4)C)CC5=CC(=C(O)C=C5)C6=CC(=CC=C6OC)C7)C
• InChI: 1S/C37H40N2O6/c1-38-12-10-23-18-33-32(43-4)20-25(23)28(38)16-21-6-8-30(40)26(14-21)27-15-22(7-9-31(27)42-3)17-29-35-24(11-13-39(29)2)19-34(44-5)36(41)37(35)45-33/h6-9,14-15,18-20,28-29,40-41H,10-13,16-17H2,1-5H3/t28-,29+/m1/s1
• InChIKey: MCVHJNNOOCVDLO-WDYNHAJCSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 745.68°C at 760 mmHg (Cal.)
• Flash point: 404.773°C (Cal.)