Dolutegravir

cas: 1051375-16-6 — see every product listed under this CAS number, including other names

Dolutegravir (CAS 1051375-16-6) is a chemical reagent available from Chemat. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 10g, 5g. Offered by: Chemat Brand, Hubei YoungXin, Biosynth.

brandChemat Brand
catalog numberULD093001
cas1051375-16-6
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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Hubei YoungXin 50mg price on request
Hubei YoungXin 100mg price on request
Hubei YoungXin 200mg price on request
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properties

purityNo data
categoryChemicals
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

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

Identity
Molecular formulaC20H19F2N3O5
Molecular weight419.4 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
InChIKeyRHWKPHLQXYSBKR-BMIGLBTASA-N
SMILESC[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)

Synonyms: Dolutegravir, dolutegravirum, Tivicay, Dolutegravir (GSK1349572), Dolutegravir DTG, Dolutegravir [USAN], Tivicay (TN), DOLUTEGRAVIR [VANDF], Dolutegravir (USAN), Dolutegravir (0.1 mg/mL in Methanol)
Related forms of this compound
(3R,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 C20H19F2N3O5
(3S,7S)-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 C20H19F2N3O5
(3R,7S)-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 C20H19F2N3O5
(3S,7R)-7-deuterio-N-[dideuterio-(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-7-(trideuteriomethyl)-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide C20H19F2N3O5
Isomers (same molecular formula)
(3R,6S)-N-[(2,4-difluorophenyl)methyl]-10-methoxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide C20H19F2N3O5
(3S,7R)-N-[(2,6-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 C20H19F2N3O5
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-[(2R)-4-hydroxybutan-2-yl]-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide C20H19F2N3O5

Also listed as

Dolutegravir (0.1 mg/mL in Methanol) TRC CAS 1051375-16-6
Dolutegravir, >95% (HPLC) TRC CAS 1051375-16-6
Dolutegravir/ 99.08% (existing batch purity) TargetMol CAS 1051375-16-6
S/GSK1349572 GLPBio CAS 1051375-16-6
Dolutegravir 98% Ambeed CAS 1051375-16-6
Dolutegravir, 99.85% MedChemExpress CAS 1051375-16-6
Dolutegravir (Standard) MedChemExpress CAS 1051375-16-6
Dolutegravir, 98% Fluorochem CAS 1051375-16-6