U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H26F3N3O11
Molecular Weight 625.504
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BICTEGRAVIR GLUCURONIDE

SMILES

[H][C@@]12CN3C=C(C(=O)NCC4=C(F)C=C(F)C=C4F)C(=O)C(O[C@]5([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)=C3C(=O)N1[C@H]6CC[C@H](C6)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

Approval Year

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 Dec 16 18:27:38 GMT 2023 , Edited by admin on Sat Dec 16 18:27:38 GMT 2023
PRIMARY PUBCHEM
FDA UNII
TD2G64J9XN
Created by admin on Sat Dec 16 18:27:38 GMT 2023 , Edited by admin on Sat Dec 16 18:27:38 GMT 2023
PRIMARY
CAS
2365156-60-9
Created by admin on Sat Dec 16 18:27:38 GMT 2023 , Edited by admin on Sat Dec 16 18:27:38 GMT 2023
PRIMARY