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Home >> Chemical Listing >> Page 3112 >> 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

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]

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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.)
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