4-epi-Dolutegravir

cas: 1357289-37-2 — see every product listed under this CAS number, including other names

4-epi-Dolutegravir (CAS 1357289-37-2) is a chemical reagent available from Chemat. Available pack sizes: 50mg, 10mg, 5mg, 25mg. Offered by: TRC, Biosynth.

brandTRC
catalog numberTRC-D528845-50MG
cas1357289-37-2
size50mg
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properties

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

(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 (CAS 1357289-37-2) is a chemical compound with the molecular formula C20H19F2N3O5 and a molecular weight of 419.4 g/mol. IUPAC name: (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. InChIKey: RHWKPHLQXYSBKR-BONVTDFDSA-N.

Identity
Molecular formulaC20H19F2N3O5
Molecular weight419.4 g/mol
IUPAC name(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
InChIKeyRHWKPHLQXYSBKR-BONVTDFDSA-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 S,S-, Dolutegravir S,S-isomer, Dolutegravir Impurity 4
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
(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)-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 Impurity 16 Chemat Brand CAS 1357289-37-2
Dolutegravir Impurity 43 Chemat Brand CAS 1357289-37-2
Dolutegravir Impurity 8 Hubei YoungXin CAS 1357289-37-2
Dolutegravir Impurity 16 GLPBio CAS 1357289-37-2