Trisodium 7-[[2-[(Aminocarbonyl)Amino]-4-[[4-Fluoro-6-[(2-Methylphenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo]Naphthalene-1,3,6-Trisulphonate
[CAS# 63817-39-0]

Identification

• Name: Trisodium 7-[[2-[(Aminocarbonyl)Amino]-4-[[4-Fluoro-6-[(2-Methylphenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo]Naphthalene-1,3,6-Trisulphonate
• Synonyms: Trisodium 7-[4-[[4-Fluoro-6-[(2-Methylphenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Ureido-Phenyl]Azonaphthalene-1,3,6-Trisulfonate; Trisodium 7-[4-[[4-Fluoro-6-[(2-Methylphenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Ureidophenyl]Azonaphthalene-1,3,6-Trisulfonate; Trisodium 7-[4-[[4-Fluoro-6-[(2-Methylphenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Ureido-Phenyl]Azonaphthalene-1,3,6-Trisulfonate
• Molecular Formula: C₂₇H₁₉FN₉Na₃O₁₀S₃
• Molecular Weight: 813.65
• CAS Registry Number: 63817-39-0
• EINECS: 264-495-7
• SMILES: C4=C(N=NC3=C(NC(=O)N)C=C(NC1=NC(=NC(=N1)F)NC2=CC=CC=C2C)C=C3)C(=CC5=CC(=CC(=C45)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C27H22FN9O10S3.3Na/c1-13-4-2-3-5-18(13)32-27-34-24(28)33-26(35-27)30-15-6-7-19(20(10-15)31-25(29)38)36-37-21-12-17-14(9-23(21)50(45,46)47)8-16(48(39,40)41)11-22(17)49(42,43)44;;;/h2-12H,1H3,(H3,29,31,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,30,32,33,34,35);;;/q;3*+1/p-3
• InChIKey: DERXBASKAWGGIR-UHFFFAOYSA-K