Tetrasodium 7-[[6-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]Naphthalene-1,3,6-Trisulphonate
[CAS 71720-91-7]

Identification

• Name: Tetrasodium 7-[[6-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]Naphthalene-1,3,6-Trisulphonate
• Synonyms: Tetrasodium 7-[(N'e)-N'-[6-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]Naphthalene-1,3,6-Trisulfonate; Tetrasodium 7-[(N'e)-N'-[6-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]Naphthalene-1,3,6-Trisulfonate; Tetrasodium 7-[(N'e)-N'-[6-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]-1-Keto-3-Sulfonato-2-Naphthylidene]Hydrazino]Naphthalene-1,3,6-Trisulfonate
• Molecular Formula: C₂₄H₁₀ClF₂N₅Na₄O₁₃S₄
• Molecular Weight: 870.02
• CAS Registry Number: 71720-91-7
• EINECS: 275-917-4
• SMILES: C4=C(N\N=C1\C(=CC2=C(C1=O)C=CC(=C2)NC3=C(Cl)C(=NC(=N3)F)F)[S]([O-])(=O)=O)C(=CC5=CC(=CC(=C45)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C24H14ClF2N5O13S4.4Na/c25-19-22(26)29-24(27)30-23(19)28-11-1-2-13-9(3-11)6-18(49(43,44)45)20(21(13)33)32-31-15-8-14-10(5-17(15)48(40,41)42)4-12(46(34,35)36)7-16(14)47(37,38)39;;;;/h1-8,31H,(H,28,29,30)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;/q;4*+1/p-4/b32-20-
• InChIKey: WNBCNPCQHVVHKI-JSIUDVNNSA-J