Disodium 3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methyl-5-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate
[CAS# 72138-93-3]

Identification

• Name: Disodium 3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methyl-5-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate
• Synonyms: Benzenesulfonic acid, 3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-5-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-4-methyl-, disodium salt
• Molecular Formula: C₂₁H₁₄ClF₂N₇Na₂O₇S₂
• Molecular Weight: 659.94
• CAS Registry Number: 72138-93-3
• SMILES: Cc1c(cc(cc1N=NC2C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)[O-])C)S(=O)(=O)[O-])Nc4c(c(nc(n4)F)F)Cl.[Na+].[Na+]
• InChI: 1S/C21H16ClF2N7O7S2.2Na/c1-9-14(25-19-16(22)18(23)26-21(24)27-19)7-13(40(36,37)38)8-15(9)28-29-17-10(2)30-31(20(17)32)11-3-5-12(6-4-11)39(33,34)35;;/h3-8,17H,1-2H3,(H,25,26,27)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2
• InChIKey: IJCMZANLDDGSKI-UHFFFAOYSA-L