Neo-fluvaleas
[CAS# 79682-27-2]

Identification

• Name: Neo-fluvaleas
• Synonyms: (4-Amino-4-Oxo-3,3-Diphenyl-Butyl)-Diisopropyl-Methyl-Ammonium; 2-Benzhydryloxy-N,N-Dimethyl-Ethanamine; (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; N-(4-Hydroxyphenyl)Acetamide; 1,3,7-Trimethylpurine-2,6-Dione; Iodide
• Molecular Formula: C₇₈H₉₈Cl₂IN₉O₁₃
• Molecular Weight: 1567.50
• CAS Registry Number: 79682-27-2
• SMILES: N5([C@@H]([C@H]1OC(=O)C2=C1C=CC(=C2OC)OC)C4=C(OC)C3=C(OCO3)C=C4CC5)C.N7(C6=C([N](C=N6)C)C(=O)N(C7=O)C)C.N(C8=CC=C(O)C=C8)C(=O)C.[H+].[H+].[Cl-].[I-].C([N+](C(C)C)(C(C)C)C)CC(C9=CC=CC=C9)(C%10=CC=CC=C%10)C(=O)N.[Cl-].C(OC(C%11=CC=CC=C%11)C%12=CC=CC=C%12)CN(C)C
• InChI: 1S/C23H32N2O.C22H23NO7.C17H21NO.C8H10N4O2.C8H9NO2.2ClH.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;1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;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;3-12,17H,13-14H2,1-2H3;4H,1-3H3;2-5,11H,1H3,(H,9,10);3*1H/t;17-,18+;;;;;;/m.1....../s1
• InChIKey: CLTCQDDJTQKTCU-RVZXQBPESA-N

Properties

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