4-[(4-Fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl (5xi)-beta-L-lyxo-hexopyranosiduronic acid
[CAS# 952654-62-5]

Identification

• Name: 4-[(4-Fluorobenzyl)carbamoyl]-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl (5xi)-beta-L-lyxo-hexopyranosiduronic acid
• Synonyms: Raltegravir ¦Â-D-Glucuronide
• Molecular Formula: C₂₆H₂₉FN₆O₁₁
• Molecular Weight: 620.54
• CAS Registry Number: 952654-62-5
• SMILES: Cc1nnc(o1)C(=O)NC(C)(C)c2nc(c(c(=O)n2C)O[C@@H]3[C@@H]([C@@H]([C@H](C(O3)C(=O)O)O)O)O)C(=O)NCc4ccc(cc4)F
• InChI: 1S/C26H29FN6O11/c1-10-31-32-21(42-10)20(38)30-26(2,3)25-29-13(19(37)28-9-11-5-7-12(27)8-6-11)17(22(39)33(25)4)43-24-16(36)14(34)15(35)18(44-24)23(40)41/h5-8,14-16,18,24,34-36H,9H2,1-4H3,(H,28,37)(H,30,38)(H,40,41)/t14-,15-,16-,18?,24+/m1/s1
• InChIKey: DNIJULFVNPGGMF-NIZKLHIHSA-N

Properties

• Density: 1.664g/cm³ (Cal.)
• Refractive index: 1.687 (Cal.)