Nantradol hydrochloride
[CAS# 65511-42-4]

Identification

• Name: Nantradol hydrochloride
• Synonyms: [(6S,6Ar,9R,10Ar)-9-Hydroxy-6-Methyl-3-(1-Methyl-4-Phenyl-Butoxy)-5,6,6A,7,8,9,10,10A-Octahydrophenanthridin-1-Yl] Acetate Hydrochloride; Acetic Acid [(6S,6Ar,9R,10Ar)-9-Hydroxy-6-Methyl-3-(1-Methyl-4-Phenylbutoxy)-5,6,6A,7,8,9,10,10A-Octahydrophenanthridin-1-Yl] Ester Hydrochloride; Acetic Acid [(6S,6Ar,9R,10Ar)-9-Hydroxy-6-Methyl-3-(1-Methyl-4-Phenyl-Butoxy)-5,6,6A,7,8,9,10,10A-Octahydrophenanthridin-1-Yl] Ester Hydrochloride
• Molecular Formula: C₂₇H₃₆ClNO₄
• Molecular Weight: 474.04
• CAS Registry Number: 65511-42-4
• SMILES: [C@H]12[C@@H](C[C@H](O)CC1)C4=C(N[C@H]2C)C=C(OC(CCCC3=CC=CC=C3)C)C=C4OC(=O)C.[H+].[Cl-]
• InChI: 1S/C27H35NO4.ClH/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25;/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3;1H/t17?,18-,21+,23-,24+;/m0./s1
• InChIKey: NSOGAHPJIFTUHV-DVTLTWPTSA-N

Properties

• Boiling point: 591.7°C at 760 mmHg (Cal.)
• Flash point: 311.7°C (Cal.)