(E)-2,2-Dimethyl-7-[Methyl(1-Naphthalenylmethyl)Amino]-5-Hepten-3-Ynyl-D-Glucopyranosiduronic Acid
[CAS# 99473-12-8]

Identification

• Name: (E)-2,2-Dimethyl-7-[Methyl(1-Naphthalenylmethyl)Amino]-5-Hepten-3-Ynyl-D-Glucopyranosiduronic Acid
• Synonyms: (5E)-2,2-Dimethyl-7-[methyl(1-naphthylmethyl)amino]-5-hepten-3-yn-1-yl hexopyranosiduronic acid; Hexopyranosiduronic acid, (5E)-2,2-dimethyl-7-[methyl(1-naphthalenylmethyl)amino]-5-hepten-3-yn-1-yl; HYDROXY TERBINAFINE Î’-D-GLUCURONIDE
• Molecular Formula: C₂₇H₃₃NO₇
• Molecular Weight: 483.55
• CAS Registry Number: 99473-12-8
• SMILES: CC(C)(COC1C(C(C(C(O1)C(=O)O)O)O)O)C#C/C=C/CN(C)Cc2cccc3c2cccc3
• InChI: 1S/C27H33NO7/c1-27(2,17-34-26-23(31)21(29)22(30)24(35-26)25(32)33)14-7-4-8-15-28(3)16-19-12-9-11-18-10-5-6-13-20(18)19/h4-6,8-13,21-24,26,29-31H,15-17H2,1-3H3,(H,32,33)/b8-4+
• InChIKey: XWKOYVRIRYSRSH-XBXARRHUSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 701.0±60.0°C at 760 mmHg (Cal.)
• Flash point: 377.8±32.9°C (Cal.)