Capobenate Sodium
[CAS# 27276-25-1]

Identification

• Name: Capobenate Sodium
• Synonyms: Sodium 6-[[Oxo-(3,4,5-Trimethoxyphenyl)Methyl]Amino]Hexanoate; Sodium 6-[(3,4,5-Trimethoxyphenyl)Carbonylamino]Hexanoate; Hexanoic Acid, 6-((3,4,5-Trimethoxybenzoyl)Amino)-, Monosodium Salt
• Molecular Formula: C₁₆H₂₂NNaO₆
• Molecular Weight: 347.34
• CAS Registry Number: 27276-25-1
• EINECS: 248-381-4
• SMILES: C1=C(C=C(OC)C(=C1OC)OC)C(=O)NCCCCCC([O-])=O.[Na+]
• InChI: 1S/C16H23NO6.Na/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19;/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19);/q;+1/p-1
• InChIKey: SNOOUWRIMMFWNE-UHFFFAOYSA-M

Properties

• Boiling point: 472.8°C at 760 mmHg (Cal.)
• Flash point: 239.7°C (Cal.)