Nalbuphine 3-Acetylsalicylate
[CAS# 118776-11-7]

Identification

• Name: Nalbuphine 3-Acetylsalicylate
• Molecular Formula: C₃₀H₃₃NO₇
• Molecular Weight: 519.59
• CAS Registry Number: 118776-11-7
• SMILES: [C@]136[C@]7(O)[C@H](N(CC1)CC2CCC2)CC5=C3C(=C(OC(=O)C4=C(OC(=O)C)C=CC=C4)C=C5)O[C@H]6[C@@H](O)CC7
• InChI: 1S/C30H33NO7/c1-17(32)36-22-8-3-2-7-20(22)28(34)37-23-10-9-19-15-24-30(35)12-11-21(33)27-29(30,25(19)26(23)38-27)13-14-31(24)16-18-5-4-6-18/h2-3,7-10,18,21,24,27,33,35H,4-6,11-16H2,1H3/t21-,24+,27-,29-,30+/m0/s1
• InChIKey: MTRORSPXFPXAFS-YSAQZOOCSA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Boiling point: 730.455°C at 760 mmHg (Cal.)
• Flash point: 395.565°C (Cal.)