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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H26F3N3O11
Molecular Weight 625.5051
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BICTEGRAVIR GLUCURONIDE

SMILES

C1C[C@]2([H])C[C@@]1([H])N3[C@@]([H])(Cn4cc(c(=O)c(c4C3=O)O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O5)O)O)O)C(=NCc6c(cc(cc6F)F)F)O)O2

InChI

InChIKey=ADNKJYGVXJPWAW-JKLDJCBUSA-N
InChI=1S/C27H26F3N3O11/c28-9-3-14(29)12(15(30)4-9)6-31-24(38)13-7-32-8-16-33(10-1-2-11(5-10)42-16)25(39)17(32)22(18(13)34)43-27-21(37)19(35)20(36)23(44-27)26(40)41/h3-4,7,10-11,16,19-21,23,27,35-37H,1-2,5-6,8H2,(H,31,38)(H,40,41)/t10-,11+,16+,19-,20-,21+,23-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H26F3N3O11
Molecular Weight 625.5051
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 16:36:25 UTC 2021
Edited
by admin
on Sat Jun 26 16:36:25 UTC 2021
Record UNII
TD2G64J9XN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BICTEGRAVIR GLUCURONIDE
Common Name English
BICTEGRAVIR METABOLITE M15
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2R,5S,13AR)-2,3,4,5,7,9,13,13A-OCTAHYDRO-7,9-DIOXO-10-((((2,4,6-TRIFLUOROPHENYL)METHYL)AMINO)CARBONYL)-2,5-METHANOPYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZEPIN-8-YL
Systematic Name English
GLUCURONIDE OF BICTEGRAVIR
Common Name English
Code System Code Type Description
PUBCHEM
139337241
Created by admin on Sat Jun 26 16:36:25 UTC 2021 , Edited by admin on Sat Jun 26 16:36:25 UTC 2021
PRIMARY PUBCHEM
CAS
2365156-60-9
Created by admin on Sat Jun 26 16:36:25 UTC 2021 , Edited by admin on Sat Jun 26 16:36:25 UTC 2021
PRIMARY
FDA UNII
TD2G64J9XN
Created by admin on Sat Jun 26 16:36:25 UTC 2021 , Edited by admin on Sat Jun 26 16:36:25 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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