Orantine
[CAS# 71461-13-7]

Identification

• Name: Orantine
• Synonyms: Ccris 3986; Ephedradine A; Orantine
• Molecular Formula: C₂₈H₃₆N₄O₄
• Molecular Weight: 492.62
• CAS Registry Number: 71461-13-7
• SMILES: [C@@H]24C1=CC(=CC=C1O[C@H]2C3=CC=C(C=C3)O)[C@@H]5CC(=O)NCCCN(C4=O)CCCCNCCCN5
• InChI: 1S/C28H36N4O4/c33-21-8-5-19(6-9-21)27-26-22-17-20(7-10-24(22)36-27)23-18-25(34)31-14-4-16-32(28(26)35)15-2-1-11-29-12-3-13-30-23/h5-10,17,23,26-27,29-30,33H,1-4,11-16,18H2,(H,31,34)/t23-,26+,27-/m0/s1
• InChIKey: ASCIWXOCZAWSON-RNJDCESWSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 746.051°C at 760 mmHg (Cal.)
• Flash point: 404.997°C (Cal.)