Migraine-kranit
[CAS# 77193-78-3]

Identification

• Name: Migraine-kranit
• Synonyms: 1-[(3,4-Diethoxyphenyl)Methyl]-6,7-Diethoxy-Isoquinoline; 5-Ethyl-5-Phenyl-Hexahydropyrimidine-2,4,6-Trione; N-(4-Hydroxyphenyl)Acetamide; 4-Isopropyl-1,5-Dimethyl-2-Phenyl-Pyrazol-3-One; 1,3,7-Trimethylpurine-2,6-Dione; Hydrochloride
• Molecular Formula: C₆₆H₇₉ClN₁₀O₁₂
• Molecular Weight: 1239.86
• CAS Registry Number: 77193-78-3
• SMILES: N2(C1=C([N](C=N1)C)C(=O)N(C2=O)C)C.N(C3=CC=C(O)C=C3)C(=O)C.C45=CC(=C(OCC)C=C4C=CN=C5CC6=CC(=C(OCC)C=C6)OCC)OCC.[H+].C8=C(C7(CC)C(=O)NC(=O)NC7=O)C=CC=C8.C%10=C(N9N(C(=C(C(C)C)C9=O)C)C)C=CC=C%10.[Cl-]
• InChI: 1S/C24H29NO4.C14H18N2O.C12H12N2O3.C8H10N4O2.C8H9NO2.ClH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(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;/h9-12,14-16H,5-8,13H2,1-4H3;5-10H,1-4H3;3-7H,2H2,1H3,(H2,13,14,15,16,17);4H,1-3H3;2-5,11H,1H3,(H,9,10);1H
• InChIKey: QYJFEUIEZVWVCK-UHFFFAOYSA-N