Butylon
[CAS# 8067-11-6]

Identification

• Name: Butylon
• Synonyms: [(Z)-4-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-3-(Benzoylsulfanyl)Pent-3-Enyl] Benzoate; 2-Ethoxybenzamide; N-(4-Ethoxyphenyl)-3-Hydroxy-Butanamide; 1,3,7-Trimethylpurine-2,6-Dione; Benzoic Acid [(Z)-4-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl-Formylamino]-3-[(Oxo-Phenylmethyl)Thio]Pent-3-Enyl] Ester; 2-Ethoxybenzamide
• Molecular Formula: C₅₅H₆₄N₁₀O₁₁S
• Molecular Weight: 1073.23
• CAS Registry Number: 8067-11-6
• SMILES: N(C1=CC=C(OCC)C=C1)C(=O)CC(O)C.C4=C(CN(C(=C(SC(=O)C2=CC=CC=C2)/CCOC(=O)C3=CC=CC=C3)/C)C=O)C(=NC(=N4)C)N.C5=NC6=C([N]5C)C(=O)N(C(=O)N6C)C.C(OC7=CC=CC=C7C(=O)N)C
• InChI: 1S/C26H26N4O4S.C12H17NO3.C9H11NO2.C8H10N4O2/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20;1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14;1-2-12-8-6-4-3-5-7(8)9(10)11;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29);4-7,9,14H,3,8H2,1-2H3,(H,13,15);3-6H,2H2,1H3,(H2,10,11);4H,1-3H3/b23-18-
• InChIKey: JNDDXAUSKFKLLR-DFHCBJLBSA-N

Properties

• Boiling point: 718.2°C at 760 mmHg (Cal.)
• Flash point: 388.1°C (Cal.)