Account (2S,3S,4S,5R,6S)-6-((4-((4-Fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4-oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACXMQV136
- CAS No. :
- 952654-62-5
- Molecular Formula :
- C26H29FN6O11
- Molecular Weight :
- 620.55
IUPAC Name:(2S,3S,4S,5R,6S)-6-((4-((4-fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4-oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2S,3S,4S,5R,6S)-6-((4-((4-Fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4-oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-6-((4-((4-fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4-oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C26H29FN6O11 |
| Molecular Weight | 620.55 |
| SMILES | O(C1=C(C(NCC2=CC=C(F)C=C2)=O)N=C(C(NC(=O)C3=NN=C(C)O3)(C)C)N(C)C1=O)[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O |
| InChI Key | DNIJULFVNPGGMF-LKUMGPRMSA-N |
| Synonym | Raltegravir b-D-glucuronide;4-[[[(4-Fluorophenyl)Methyl]aMino]carbonyl]-1,6-dihydro-1-Methyl-2-[1-Methyl-1-[[(5-Methyl-1,3,4-oxadiazol-2-yl)carbonyl]aMino]ethyl]-6-oxopyriMidin-5-yl;Reaxys ID: 21791844;4-[[[(4-Fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxopyrimidin-5-yl -D-Glucopyranosiduronic Acid;Raltegravir -D-Glucuronide;Raltegravir-beta-D-glucuronide;β-D-Glucopyranosiduronic acid, 4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxopyrimidin-5-yl;Raltegravir Impurity 9（Raltegravir β-D-Glucuronide） |
| CAS No. | 952654-62-5 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACXMQV136 Molecular Building Block Synthetic Route
4-((4-Fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4-oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl pivalate
N-(2-(4-((4-Fluorobenzyl)carbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
Raltegravir sodium