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4-Defluoro Dolutegravir (sodium salt)

SZ CAT No SZ-D052015
CAS No NA
Mol.F. C20H19FN3O5 : Na
Mol.Wt. 400.4 : 23.0
Inv. Status In Stock
Rel. CAS No 1863916-87-3 (free base)


Chemical Name: Sodium (4R,12aS)-9-((2-fluorobenzyl)carbamoyl)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazin-7-olate

Smiles: O=C1C([O-])=C2N(C[C@@](OCC[C@]3(C)[H])([H])N3C2=O)C=C1C(NCC4=C(F)C=CC=C4)=O.[Na+]

Inchi: InChI=1S/C20H19F2N3O5.Na/c1-10-5-6-30-15-9-24-8-12(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-13(21)3-2-4-14(11)22;/h2-4,8,10,15,27H,5-7,9H2,1H3,(H,23,28);/q;+1/p-1/t10-,15+;/m1./s1