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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H17F3N3O5.Na
Molecular Weight 471.3618
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BICTEGRAVIR SODIUM

SMILES

[Na+].[H][C@@]12CN3C=C(C(=O)NCC4=C(F)C=C(F)C=C4F)C(=O)C([O-])=C3C(=O)N1[C@H]5CC[C@H](C5)O2

InChI

InChIKey=WJNFBIVCQMPPJC-FQYDJHLKSA-M
InChI=1S/C21H18F3N3O5.Na/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);/q;+1/p-1/t10-,11+,16+;/m0./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H17F3N3O5
Molecular Weight 448.372
Charge -1
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 Dec 16 08:41:33 UTC 2023
Edited
by admin
on Sat Dec 16 08:41:33 UTC 2023
Record UNII
4L5MP1Y7W7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BICTEGRAVIR SODIUM
USAN  
USAN  
Official Name English
BICTEGRAVIR SODIUM [JAN]
Common Name English
BICTEGRAVIR SODIUM [USAN]
Common Name English
BICTEGRAVIR SODIUM [MI]
Common Name English
BICTEGRAVIR SODIUM [ORANGE BOOK]
Common Name English
BICTEGRAVIR SODIUM COMPONENT OF BIKTARVY
Common Name English
GS-9883-01 SODIUM
Code English
GS-9883 SODIUM
Code English
BIKTARVY COMPONENT BICTEGRAVIR SODIUM
Brand 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-TRIFLUOROPHENYL)METHYL)-, SODIUM SALT (1:1), (2R,5S,13AR)-
Systematic Name English
Bictegravir sodium [WHO-DD]
Common Name English
(2R,5S,13AR)-8-HYDROXY-7,9-DIOXO-N-((2,4,6-TRIFLUOROPHENYL)METHYL)-2,3,4,5,7,9,13,13A-OCTAHYDRO-2,5-METHANOPYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZEPINE-10-CARBOXAMIDE MONOSODIUM SALT
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1660
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
Code System Code Type Description
USAN
DE-63
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
PRIMARY
CAS
1807988-02-8
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
PRIMARY
NCI_THESAURUS
C142955
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
PRIMARY
FDA UNII
4L5MP1Y7W7
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
PRIMARY
DRUG BANK
DBSALT002077
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
PRIMARY
MERCK INDEX
m12125
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
PRIMARY
PUBCHEM
102593990
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
PRIMARY
ChEMBL
CHEMBL3707292
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
PRIMARY
DAILYMED
4L5MP1Y7W7
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
PRIMARY
RXCUI
1999661
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
PRIMARY
SMS_ID
100000174345
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
PRIMARY
EPA CompTox
DTXSID401027938
Created by admin on Sat Dec 16 08:41:33 UTC 2023 , Edited by admin on Sat Dec 16 08:41:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY