Trisodium 4-{[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino}-5-hydroxy-6-[(2-sulfonatophenyl)diazenyl]-1,7-naphthalenedisulfonate
[CAS# 72659-67-7]

Identification

• Name: Trisodium 4-{[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino}-5-hydroxy-6-[(2-sulfonatophenyl)diazenyl]-1,7-naphthalenedisulfonate
• Synonyms: 1,7-Naphthalenedisulfonic acid, 4-[[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino]-5-hydroxy-6-[(2-sulfophenyl)azo]-, trisodium salt
• Molecular Formula: C₂₂H₁₅ClN₅Na₃O₁₂S₄
• Molecular Weight: 774.06
• CAS Registry Number: 72659-67-7
• SMILES: Cc1c(c(nc(n1)S(=O)(=O)C)Nc2ccc(c3c2c(c(c(c3)S(=O)(=O)[O-])N=Nc4ccccc4S(=O)(=O)[O-])O)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]
• InChI: 1S/C22H18ClN5O12S4.3Na/c1-10-18(23)21(26-22(24-10)41(2,30)31)25-13-7-8-14(42(32,33)34)11-9-16(44(38,39)40)19(20(29)17(11)13)28-27-12-5-3-4-6-15(12)43(35,36)37;;;/h3-9,29H,1-2H3,(H,24,25,26)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3
• InChIKey: HOZHFCQRPQJCNU-UHFFFAOYSA-K