loading...| Preferred Name |
dolutegravir |
|
| Synonyms |
(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 S/GSK1349572 |
|
| Definitions |
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (4R,12aS)-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-carboxylic acid with the amino group of 2,4-difluorobenzylamine. Used (as its sodium salt) for treatment of HIV-1. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_76010 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:WO2006116764 PMID:23798668 PMID:23777012 PMID:23817375 PMID:24052331 PMID:23306000 PMID:23413040 PMID:23455469 PMID:23432922 PMID:24096683 PMID:23075918 PMID:23942060 PMID:24074642 Drug_Central:4805 Patent:EP2602260 Reaxys:12732602 PMID:23845180 PMID:23669385 PMID:23295935 PMID:23225901 PMID:23830355 PMID:23132334 PMID:22878423 PMID:23807273 PMID:22018760 PMID:22905856 PMID:22205735 PMID:23824675 PDBeChem:DLU CAS:1051375-16-6 KEGG:D10066 PMID:23885999 Wikipedia:Dolutegravir |
|
| definition |
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (4R,12aS)-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-carboxylic acid with the amino group of 2,4-difluorobenzylamine. Used (as its sodium salt) for treatment of HIV-1. |
|
| formula |
C20H19F2N3O5 |
|
| has role | ||
| has_exact_synonym |
(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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
S/GSK1349572 |
|
| id |
CHEBI:76010 |
|
| in_subset | ||
| 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 |
|
| is conjugate acid of | ||
| label |
dolutegravir |
|
| mass |
419.37880 |
|
| monoisotopicmass |
419.12928 |
|
| notation |
CHEBI:76010 |
|
| prefLabel |
dolutegravir |
|
| smiles |
C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_140325 http://purl.obolibrary.org/obo/CHEBI_26979 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_140325 http://purl.obolibrary.org/obo/CHEBI_26979 |