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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 4-DEFLUORO DOLUTEGRAVIR

SMILES

[H][C@]12CN3C=C(C(=O)NCC4=CC=CC=C4F)C(=O)C(O)=C3C(=O)N1[C@H](C)CCO2

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

Approval Year

Name Type Language
4-DEFLUORO DOLUTEGRAVIR
Common Name English
2-FLUORO DOLUTEGRAVIR
Common 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 Sat Dec 16 17:56:54 GMT 2023 , Edited by admin on Sat Dec 16 17:56:54 GMT 2023
PRIMARY
PUBCHEM
155491163
Created by admin on Sat Dec 16 17:56:54 GMT 2023 , Edited by admin on Sat Dec 16 17:56:54 GMT 2023
PRIMARY PUBCHEM
CAS
1863916-87-3
Created by admin on Sat Dec 16 17:56:54 GMT 2023 , Edited by admin on Sat Dec 16 17:56:54 GMT 2023
PRIMARY