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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20FN3O5
Molecular Weight 401.3883
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-FLUORO-4-DESFLUORO DOLUTEGRAVIR

SMILES

C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCC4=C(F)C=CC=C4)C(=O)C(O)=C3C(=O)N12

InChI

InChIKey=XBOHLWYCZARIPT-ABAIWWIYSA-N
InChI=1S/C20H20FN3O5/c1-11-6-7-29-15-10-23-9-13(17(25)18(26)16(23)20(28)24(11)15)19(27)22-8-12-4-2-3-5-14(12)21/h2-5,9,11,15,26H,6-8,10H2,1H3,(H,22,27)/t11-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H20FN3O5
Molecular Weight 401.3883
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:52:06 GMT 2025
Edited
by admin
on Wed Apr 02 09:52:06 GMT 2025
Record UNII
29LH9LED64
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-FLUORO-4-DESFLUORO DOLUTEGRAVIR
Common Name English
2-FLUORO DOLUTEGRAVIR
Preferred Name English
2H-Pyrido[1?,2?:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(2-fluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, (4R,12aS)-
Systematic Name English
DOLUTEGRAVIR 4-DESFLUORO IMPURITY
Common Name English
(4R,12aS)-N-[(2-Fluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido[1?,2?:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
Systematic Name English
Code System Code Type Description
FDA UNII
29LH9LED64
Created by admin on Wed Apr 02 09:52:06 GMT 2025 , Edited by admin on Wed Apr 02 09:52:06 GMT 2025
PRIMARY
PUBCHEM
155491163
Created by admin on Wed Apr 02 09:52:06 GMT 2025 , Edited by admin on Wed Apr 02 09:52:06 GMT 2025
PRIMARY PUBCHEM
CAS
1863916-87-3
Created by admin on Wed Apr 02 09:52:06 GMT 2025 , Edited by admin on Wed Apr 02 09:52:06 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY