Optalidon
[CAS# 60382-50-5]

Identification

• Name: Optalidon
• Synonyms: 5-Allyl-5-Isobutyl-Hexahydropyrimidine-2,4,6-Trione; 4-Dimethylamino-1,5-Dimethyl-2-Phenyl-Pyrazol-3-One; 1,3,7-Trimethylpurine-2,6-Dione; 5-Allyl-5-Isobutylhexahydropyrimidine-2,4,6-Trione; 4-Dimethylamino-1,5-Dimethyl-2-Phenyl-3-Pyrazolone; 1,3,7-Trimethylpurine-2,6-Dione
• Molecular Formula: C₃₂H₄₃N₉O₆
• Molecular Weight: 649.75
• CAS Registry Number: 60382-50-5
• SMILES: N1C(=O)C(C(=O)NC1=O)(CC(C)C)CC=C.C2=NC3=C([N]2C)C(=O)N(C(=O)N3C)C.C5=C(N4N(C(=C(N(C)C)C4=O)C)C)C=CC=C5
• InChI: 1S/C13H17N3O.C11H16N2O3.C8H10N4O2/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h5-9H,1-4H3;4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16);4H,1-3H3
• InChIKey: YTEZOIYKTFWJPC-UHFFFAOYSA-N

Properties

• Boiling point: 319.7°C at 760 mmHg (Cal.)
• Flash point: 125.9°C (Cal.)