Anticataracticum
[CAS# 138240-73-0]

Identification

• Name: Anticataracticum
• Synonyms: Magnesium; Disodium; (1E)-2-[6-[[Amino-[[Amino-[(4-Chlorophenyl)Amino]Methylene]Amino]Methylene]Amino]Hexyl]-1-[Amino-[(4-Chlorophenyl)Amino]Methylene]Guanidine; 2-Aminobutanedioate; Butanedioate; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Oxo-3H-Purin-9-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₆₂H₈₉Cl₂MgN₁₈Na₂O₃₅P
• Molecular Weight: 1818.65
• CAS Registry Number: 138240-73-0
• SMILES: [O-]C(=O)C(N)CC([O-])=O.[O-]C(=O)CCC([O-])=O.O=C(N)C1=CN=CC=C1.NC(CC([O-])=O)C([O-])=O.[C@@H]2(O)[C@H](O)[C@H](O[C@H]2[N]3C4=C(N=C3)C(=O)N=CN4)CO[P](O)(O)=O.[C@H](O)([C@H](O)[C@@H](O)C(O)=O)[C@H](O)CO.[C@H](O)([C@H](O)[C@@H](O)C(O)=O)[C@H](O)CO.[H+].[H+].C6=C(NC(=NC(=NCCCCCCN=C(N)N=C(NC5=CC=C(Cl)C=C5)N)N)N)C=CC(=C6)Cl.[Na+].[Na+].[Mg++]
• InChI: 1S/C22H30Cl2N10.C10H13N4O8P.C6H6N2O.2C6H12O7.2C4H7NO4.C4H6O4.Mg.2Na/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;7-6(9)5-2-1-3-8-4-5;2*7-1-2(8)3(9)4(10)5(11)6(12)13;2*5-2(4(8)9)1-3(6)7;5-3(6)1-2-4(7)8;;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-4H,(H2,7,9);2*2-5,7-11H,1H2,(H,12,13);2*2H,1,5H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8);;;/q;;;;;;;;+2;2*+1/p-4/t;4-,6-,7-,10-;;2*2-,3-,4+,5-;;;;;;/m.1.11....../s1
• InChIKey: APZRQYXXDGMUIF-BYSABFAXSA-J