Fluvaleas
[CAS# 79682-26-1]

Identification

• Name: Fluvaleas
• Synonyms: (4-Amino-4-Oxo-3,3-Diphenyl-Butyl)-Diisopropyl-Methyl-Ammonium; (3S)-6,7-Dimethoxy-3-[(5R)-4-Methoxy-6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinolin-5-Yl]-3H-Isobenzofuran-1-One; 5-Ethyl-5-Isopentyl-Hexahydropyrimidine-2,4,6-Trione; N-(4-Hydroxyphenyl)Acetamide; 1,3,7-Trimethylpurine-2,6-Dione; Iodide
• Molecular Formula: C₇₂H₉₄ClIN₁₀O₁₅
• Molecular Weight: 1501.95
• CAS Registry Number: 79682-26-1
• SMILES: N1C(=O)C(CCC(C)C)(CC)C(=O)NC1=O.N3(C2=C([N](C=N2)C)C(=O)N(C3=O)C)C.N(C4=CC=C(O)C=C4)C(=O)C.[C@H]6(N(CCC7=CC5=C(OCO5)C(=C67)OC)C)[C@H]8OC(=O)C9=C8C=CC(=C9OC)OC.[H+].C([N+](C(C)C)(C(C)C)C)CC(C%10=CC=CC=C%10)(C%11=CC=CC=C%11)C(=O)N.[Cl-].[I-]
• InChI: 1S/C23H32N2O.C22H23NO7.C11H18N2O3.C8H10N4O2.C8H9NO2.ClH.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18;1-4-11(6-5-7(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;1-6(10)9-7-2-4-8(11)5-3-7;;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);5-6,9,17-18H,7-8,10H2,1-4H3;7H,4-6H2,1-3H3,(H2,12,13,14,15,16);4H,1-3H3;2-5,11H,1H3,(H,9,10);2*1H/t;17-,18+;;;;;/m.1...../s1
• InChIKey: UEZMQENTJAZHJM-OCHYQIJTSA-N

Properties

• Boiling point: 565.3°C at 760 mmHg (Cal.)
• Flash point: 295.7°C (Cal.)