N-Butan-2-Yl-1-[5-[(3',6'-Dihydroxy-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-5-Carbonyl)Amino]-2-Fluorophenyl]-N-Methylisoquinoline-3-Carboxamide
[CAS# 143934-15-0]

Identification

• Name: N-Butan-2-Yl-1-[5-[(3',6'-Dihydroxy-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-5-Carbonyl)Amino]-2-Fluorophenyl]-N-Methylisoquinoline-3-Carboxamide
• Synonyms: 1-[5-[(3',6'-Dihydroxy-3-Oxo-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Carbonyl)Amino]-2-Fluoro-Phenyl]-N-Methyl-N-Sec-Butyl-Isoquinoline-3-Carboxamide; 1-[5-[[(3',6'-Dihydroxy-3-Oxo-5-Spiro[Isobenzofuran-1,9'-Xanthene]Yl)-Oxomethyl]Amino]-2-Fluorophenyl]-N-Methyl-N-Sec-Butyl-3-Isoquinolinecarboxamide; 1-[5-[(3',6'-Dihydroxy-3-Keto-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Carbonyl)Amino]-2-Fluoro-Phenyl]-N-Methyl-N-Sec-Butyl-Isoquinoline-3-Carboxamide
• Molecular Formula: C₄₂H₃₂FN₃O₇
• Molecular Weight: 709.73
• CAS Registry Number: 143934-15-0
• SMILES: C1=CC(=CC2=C1C3(OC2=O)C5=C(OC4=C3C=CC(=C4)O)C=C(O)C=C5)C(=O)NC6=CC=C(F)C(=C6)C7=C8C(=CC(=N7)C(=O)N(C(CC)C)C)C=CC=C8
• InChI: 1S/C42H32FN3O7/c1-4-22(2)46(3)40(50)35-18-23-7-5-6-8-28(23)38(45-35)30-19-25(10-16-34(30)43)44-39(49)24-9-13-31-29(17-24)41(51)53-42(31)32-14-11-26(47)20-36(32)52-37-21-27(48)12-15-33(37)42/h5-22,47-48H,4H2,1-3H3,(H,44,49)
• InChIKey: UBHBPMOKEFIASH-UHFFFAOYSA-N

Properties

• Density: 1.502g/cm³ (Cal.)
• Boiling point: 892.192°C at 760 mmHg (Cal.)
• Flash point: 493.38°C (Cal.)