Tubilicid
[CAS# 77257-39-7]

Identification

• Name: Tubilicid
• Synonyms: Sodium; (1E)-2-[6-[[Amino-[[Amino-[(4-Chlorophenyl)Amino]Methylene]Amino]Methylene]Amino]Hexyl]-1-[Amino-[(4-Chlorophenyl)Amino]Methylene]Guanidine; 2-[2-[2-(Dodecylamino)Ethylamino]Ethylamino]Acetic Acid; (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoic Acid; Fluoride; Sodium
• Molecular Formula: C₅₂H₉₃Cl₂FN₁₃NaO₁₆
• Molecular Weight: 1269.28
• CAS Registry Number: 77257-39-7
• SMILES: N(CCCCCCCCCCCC)CCNCCNCC(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.C2=C(NC(=NC(=NCCCCCCN=C(N)N=C(NC1=CC=C(Cl)C=C1)N)N)N)C=CC(=C2)Cl.[Na+].[F-]
• InChI: 1S/C22H30Cl2N10.C18H39N3O2.2C6H12O7.FH.Na/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;1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16-21-17-18(22)23;2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);19-21H,2-17H2,1H3,(H,22,23);2*2-5,7-11H,1H2,(H,12,13);1H;/q;;;;;+1/p-1/t;;2*2-,3-,4+,5-;;/m..11../s1
• InChIKey: SVFZQPUFITXELU-IWEYRZOISA-M