loading...| Preferred Name |
dolutegravir |
|
| Synonyms |
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|
| 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. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_76010 |
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| charge |
0 |
|
| 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. |
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| formula |
C20H19F2N3O5 |
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| has characteristic | ||
| has role | ||
| 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 |
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| inchikey |
RHWKPHLQXYSBKR-BMIGLBTASA-N |
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| is_conjugate_acid_of | ||
| label |
dolutegravir |
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| mass |
419.37880 |
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| monoisotopicmass |
419.12928 |
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| prefixIRI |
CHEBI:76010 |
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| prefLabel |
dolutegravir |
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| smiles |
C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 |
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| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_140325 http://purl.obolibrary.org/obo/CHEBI_26979 |