Products 1051375-16-6
CAS 1051375-16-6 appears in our catalog under these names: Dolutegravir, Dolutegravir (0.1 mg/mL in Methanol), Dolutegravir, >95% (HPLC), Dolutegravir/ 99.08% (existing batch purity), S/GSK1349572. Offered by: Chemat Brand, Hubei YoungXin, TRC, TargetMol, GLPBio. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 5x1ml, 5mg.
Dolutegravir is 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. It has a role as a HIV-1 integrase inhibitor. It is a secondary carboxamide, an organic heterotricyclic compound, a monocarboxylic acid amide and a difluorobenzene. It is a conjugate acid of a dolutegravir(1-).
Source: ChEBI
| Molecular formula | C20H19F2N3O5 |
|---|---|
| Molecular weight | 419.4 g/mol |
| IUPAC name | (3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide |
| InChIKey | RHWKPHLQXYSBKR-BMIGLBTASA-N |
| SMILES | C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O |
Computed by PubChem (NCBI)