Equagesic
[CAS# 8056-21-1]

Identification

• Name: Equagesic
• Synonyms: 2-Acetoxybenzoic Acid; [2-(Carbamoyloxymethyl)-2-Methyl-Pentyl] Carbamate; Ethyl 1-Methyl-4-Phenyl-Azepane-4-Carboxylate; 2-Acetoxybenzoic Acid; Carbamic Acid [2-(Carbamoyloxymethyl)-2-Methylpentyl] Ester; 1-Methyl-4-Phenyl-4-Azepanecarboxylic Acid Ethyl Ester
• Molecular Formula: C₃₄H₄₉N₃O₁₀
• Molecular Weight: 659.78
• CAS Registry Number: 8056-21-1
• SMILES: C2=C(C1(C(OCC)=O)CCN(CCC1)C)C=CC=C2.C3=CC=CC(=C3C(=O)O)OC(=O)C.C(OC(=O)N)C(COC(=O)N)(CCC)C
• InChI: 1S/C16H23NO2.C9H18N2O4.C9H8O4/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16;1-3-4-9(2,5-14-7(10)12)6-15-8(11)13;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h4-6,8-9H,3,7,10-13H2,1-2H3;3-6H2,1-2H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H,11,12)
• InChIKey: UVWMFASQZGQIKP-UHFFFAOYSA-N

Properties

• Boiling point: 346.4°C at 760 mmHg (Cal.)
• Flash point: 114.4°C (Cal.)