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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18F3N3O9S
Molecular Weight 545.4444
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of META-SULFOOXY-BICTEGRAVIR

SMILES

C1C[C@]2([H])C[C@@]1([H])N3[C@@]([H])(Cn4cc(c(=O)c(c4C3=O)O)C(=NCc5c(cc(c(c5F)OS(=O)(=O)O)F)F)O)O2

InChI

InChIKey=PBTULGPFKUXXET-ATEUNZGCSA-N
InChI=1S/C21H18F3N3O9S/c22-12-4-13(23)19(36-37(32,33)34)15(24)10(12)5-25-20(30)11-6-26-7-14-27(8-1-2-9(3-8)35-14)21(31)16(26)18(29)17(11)28/h4,6,8-9,14,29H,1-3,5,7H2,(H,25,30)(H,32,33,34)/t8-,9+,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H18F3N3O9S
Molecular Weight 545.4444
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:06:10 UTC 2021
Edited
by admin
on Sat Jun 26 06:06:10 UTC 2021
Record UNII
E725MU4HJC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
META-SULFOOXY-BICTEGRAVIR
Common Name English
SULFATE OF HYDROXY-BICTEGRAVIR
Common Name English
BICTEGRAVIR METABOLITE M20
Common Name English
2,5-METHANOPYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZEPINE-10-CARBOXAMIDE, 2,3,4,5,7,9,13,13A-OCTAHYDRO-8-HYDROXY-7,9-DIOXO-N-((2,4,6-TRIFLUORO-3-(SULFOOXY)PHENYL)METHYL)-, (2R,5S,13AR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
139337115
Created by admin on Sat Jun 26 06:06:10 UTC 2021 , Edited by admin on Sat Jun 26 06:06:10 UTC 2021
PRIMARY PUBCHEM
FDA UNII
E725MU4HJC
Created by admin on Sat Jun 26 06:06:10 UTC 2021 , Edited by admin on Sat Jun 26 06:06:10 UTC 2021
PRIMARY
CAS
2365156-61-0
Created by admin on Sat Jun 26 06:06:10 UTC 2021 , Edited by admin on Sat Jun 26 06:06:10 UTC 2021
PRIMARY
Related Record Type Details
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