Disodium 1-Amino-4-[(2-{[(5-Chloro-6-Fluoro-4-Pyrimidinyl)Amino]Methyl}-4-Methyl-6-Sulfonatophenyl)Amino]-9,10-Dioxo-9,10-Dihydro-2-Anthracenesulfonate
[CAS# 149530-93-8]

Identification

• Name: Disodium 1-Amino-4-[(2-{[(5-Chloro-6-Fluoro-4-Pyrimidinyl)Amino]Methyl}-4-Methyl-6-Sulfonatophenyl)Amino]-9,10-Dioxo-9,10-Dihydro-2-Anthracenesulfonate
• Synonyms: 2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-6-fluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt
• Molecular Formula: C₂₆H₁₇ClFN₅Na₂O₈S₂
• Molecular Weight: 692.00
• CAS Registry Number: 149530-93-8
• SMILES: Cc1cc(c(c(c1)S(=O)(=O)[O-])Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)[O-])CNc5c(c(ncn5)F)Cl.[Na+].[Na+]
• InChI: 1S/C26H19ClFN5O8S2.2Na/c1-11-6-12(9-30-26-20(27)25(28)31-10-32-26)22(17(7-11)43(39,40)41)33-15-8-16(42(36,37)38)21(29)19-18(15)23(34)13-4-2-3-5-14(13)24(19)35;;/h2-8,10,33H,9,29H2,1H3,(H,30,31,32)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2
• InChIKey: HYRPHYNOGYXYQB-UHFFFAOYSA-L

Properties

• Refractive index: (Cal.)