Contramibial
[CAS# 83097-13-6]

Identification

• Name: Contramibial
• Synonyms: (2Z,4S,4As,5As,6R,12As)-2-(Amino-Hydroxy-Methylene)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; N'-(7-Chloro-4-Quinolyl)-N,N-Diethyl-Pentane-1,4-Diamine; 5,7-Diiodoquinolin-8-Ol; Phosphoric Acid; (2Z,4S,4As,5As,6R,12As)-2-(Amino-Hydroxymethylene)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; N'-(7-Chloro-4-Quinolyl)-N,N-Diethylpentane-1,4-Diamine
• Molecular Formula: C₄₉H₆₁ClI₂N₆O₁₇P₂
• Molecular Weight: 1357.26
• CAS Registry Number: 83097-13-6
• SMILES: [C@@H]23C[C@@H]1[C@@](O)(C4=C(C(=C1C(=O)[C@]2(O)C(=O)\C(C(=O)[C@H]3N(C)C)=C(/O)N)O)C(=CC=C4)O)C.C5=CC=NC6=C5C(=CC(=C6O)I)I.C7=CN=C8C(=C7NC(CCCN(CC)CC)C)C=CC(=C8)Cl.O=[P](O)(O)O.O=[P](O)(O)O
• InChI: 1S/C22H24N2O8.C18H26ClN3.C9H5I2NO.2H3O4P/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;2*1-5(2,3)4/h4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3;8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);1-4,13H;2*(H3,1,2,3,4)/b20-14-;;;;/t9-,10-,15-,21-,22-;;;;/m0..../s1
• InChIKey: JALSTVYGXFVROV-HTTSBBLASA-N