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CHEBI:172960 - bictegravir(1−)

ChEBI IDCHEBI:172960
ChEBI Namebictegravir(1−)
Stars
ASCII Namebictegravir(1-)
DefinitionAn organic anion that is the conjugate base of bictegravir, obtained by deptotonation of the 8-hydroxy group.
Last Modified21 May 2021
SubmitterAdnan
DownloadsMolfile
FormulaC21H17F3N3O5
Net Charge-1
Average Mass448.377
Monoisotopic Mass448.11258
SMILES[H][C@@]12CC[C@@]([H])(C1)N1C(=O)c3c([O-])c(=O)c(C(=O)NCc4c(F)cc(F)cc4F)cn3C[C@@]1([H])O2
InChIInChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/p-1/t10-,11+,16+/m0/s1
InChIKeySOLUWJRYJLAZCX-LYOVBCGYSA-M
ChEBI Ontology
Outgoing Relation(s)
bictegravir(1−) (CHEBI:172960) is a organic anion (CHEBI:25696)
bictegravir(1−) (CHEBI:172960) is conjugate base of bictegravir (CHEBI:172943)
Incoming Relation(s)
bictegravir sodium (CHEBI:172961) has part bictegravir(1−) (CHEBI:172960)
bictegravir (CHEBI:172943) is conjugate acid of bictegravir(1−) (CHEBI:172960)
IUPAC Name 
(2R,5S,13aR)-7,9-dioxo-10-[(2,4,6-trifluorobenzyl)carbamoyl]-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepin-8-olate
Synonym  Source
bictegravir anionChEBI