Sodium 6'-Hydroxy-5-[2-[4-(2-Methyl-3-Oxo-7H-Imidazo[1,2-d]Pyrazin-6-Yl)Phenoxy]Ethylcarbamothioylamino]-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-3'-Olate
[CAS# 132059-43-9]

Identification

• Name: Sodium 6'-Hydroxy-5-[2-[4-(2-Methyl-3-Oxo-7H-Imidazo[1,2-d]Pyrazin-6-Yl)Phenoxy]Ethylcarbamothioylamino]-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-3'-Olate
• Synonyms: Sodium 6'-Hydroxy-5-[2-[4-(2-Methyl-3-Oxo-7H-Imidazo[1,2-D]Pyrazin-6-Yl)Phenoxy]Ethylcarbamothioylamino]-3-Oxo-Spiro[Isobenzofuran-1,9'-Xanthene]-3'-Olate; Sodium 6'-Hydroxy-5-[[[2-[4-(2-Methyl-3-Oxo-7H-Imidazo[1,2-D]Pyrazin-6-Yl)Phenoxy]Ethylamino]-Thioxomethyl]Amino]-3-Oxo-3'-Spiro[Isobenzofuran-1,9'-Xanthene]Olate; Sodium 6'-Hydroxy-3-Keto-5-[2-[4-(3-Keto-2-Methyl-7H-Imidazo[1,2-D]Pyrazin-6-Yl)Phenoxy]Ethylthiocarbamoylamino]Spiro[Isobenzofuran-1,9'-Xanthene]-3'-Olate
• Molecular Formula: C₃₆H₂₆N₅NaO₇S
• Molecular Weight: 695.68
• CAS Registry Number: 132059-43-9
• SMILES: C1=CC(=CC2=C1C3(OC2=O)C5=C(OC4=C3C=CC(=C4)O)C=C([O-])C=C5)NC(=S)NCCOC8=CC=C(C6=CN7C(=CN6)N=C(C7=O)C)C=C8.[Na+]
• InChI: 1S/C36H27N5O7S.Na/c1-19-33(44)41-18-29(38-17-32(41)39-19)20-2-7-24(8-3-20)46-13-12-37-35(49)40-21-4-9-26-25(14-21)34(45)48-36(26)27-10-5-22(42)15-30(27)47-31-16-23(43)6-11-28(31)36;/h2-11,14-18,38,42-43H,12-13H2,1H3,(H2,37,40,49);/q;+1/p-1
• InChIKey: JCFAXGWVSYJLRR-UHFFFAOYSA-M

Properties

• Boiling point: 891.2°C at 760 mmHg (Cal.)
• Flash point: 492.8°C (Cal.)