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CHEBI:76010 - dolutegravir
| Formula | C20H19F2N3O5 |
| Net Charge | 0 |
| Average Mass | 419.384 |
| Monoisotopic Mass | 419.12928 |
| SMILES | [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |
| InChI | InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1 |
| InChIKey | RHWKPHLQXYSBKR-BMIGLBTASA-N |
| Wikipedia |
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| Roles Classification |
|---|
| Biological Role: | HIV-1 integrase inhibitor An inhibitor of HIV-1 integrase, an enzyme required for the integration of the genetic material of the retrovirus into the DNA of the infected cells. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dolutegravir (CHEBI:76010) has role HIV-1 integrase inhibitor (CHEBI:67268) |
| dolutegravir (CHEBI:76010) is a difluorobenzene (CHEBI:38582) |
| dolutegravir (CHEBI:76010) is a monocarboxylic acid amide (CHEBI:29347) |
| dolutegravir (CHEBI:76010) is a organic heterotricyclic compound (CHEBI:26979) |
| dolutegravir (CHEBI:76010) is a secondary carboxamide (CHEBI:140325) |
| dolutegravir (CHEBI:76010) is conjugate acid of dolutegravir(1−) (CHEBI:76014) |
| Incoming Relation(s) |
| dolutegravir(1−) (CHEBI:76014) is conjugate base of dolutegravir (CHEBI:76010) |
| IUPAC Name |
|---|
| (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide |
| Synonym | Source |
|---|---|
| S/GSK1349572 | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 4805 | DrugCentral |
| D10066 | KEGG DRUG |
| DLU | PDBeChem |
| Dolutegravir | Wikipedia |
| EP2602260 | Patent |
| WO2006116764 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:12732602 | Reaxys |
| CAS:1051375-16-6 | ChemIDplus |
| CAS:1051375-16-6 | KEGG DRUG |
| Citations |
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