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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H19F2N3O5
Molecular Weight 419.3788
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((2,4-DIFLUOROPHENYL)METHYL)-1,8-DIHYDRO-9-HYDROXY-2-((1R)-3-HYDROXY-1-METHYLPROPYL)-1,8-DIOXO-2H-PYRIDO(1,2-A)PYRAZINE-7-CARBOXAMIDE

SMILES

C[C@H](CCO)N1C=CN2C=C(C(=O)NCC3=CC=C(F)C=C3F)C(=O)C(O)=C2C1=O

InChI

InChIKey=NQVIDZANHVWALI-LLVKDONJSA-N
InChI=1S/C20H19F2N3O5/c1-11(4-7-26)25-6-5-24-10-14(17(27)18(28)16(24)20(25)30)19(29)23-9-12-2-3-13(21)8-15(12)22/h2-3,5-6,8,10-11,26,28H,4,7,9H2,1H3,(H,23,29)/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H19F2N3O5
Molecular Weight 419.3788
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:46:23 UTC 2023
Edited
by admin
on Sat Dec 16 18:46:23 UTC 2023
Record UNII
XM665LD5AD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((2,4-DIFLUOROPHENYL)METHYL)-1,8-DIHYDRO-9-HYDROXY-2-((1R)-3-HYDROXY-1-METHYLPROPYL)-1,8-DIOXO-2H-PYRIDO(1,2-A)PYRAZINE-7-CARBOXAMIDE
Systematic Name English
2H-PYRIDO(1,2-A)PYRAZINE-7-CARBOXAMIDE, N-((2,4-DIFLUOROPHENYL)METHYL)-1,8-DIHYDRO-9-HYDROXY-2-((1R)-3-HYDROXY-1-METHYLPROPYL)-1,8-DIOXO-
Systematic Name English
2H-PYRIDO(1,2-A)PYRAZINE-7-CARBOXAMIDE, N-((2,4-DIFLUOROPHENYL)METHYL)-1,8-DIHYDRO-9-HYDROXY-2-(3-HYDROXY-1-METHYLPROPYL)-1,8-DIOXO-
Common Name English
DOLUTEGRAVIR IMPURITY 3
Common Name English
N-((2,4-DIFLUOROPHENYL)METHYL)-1,8-DIHYDRO-9-HYDROXY-2-(3-HYDROXY-1-METHYLPROPYL)-1,8-DIOXO-2H-PYRIDO(1,2-A)PYRAZINE-7-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
155923124
Created by admin on Sat Dec 16 18:46:24 UTC 2023 , Edited by admin on Sat Dec 16 18:46:24 UTC 2023
PRIMARY
CAS
2374716-73-9
Created by admin on Sat Dec 16 18:46:24 UTC 2023 , Edited by admin on Sat Dec 16 18:46:24 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
1973402-05-9
Created by admin on Sat Dec 16 18:46:24 UTC 2023 , Edited by admin on Sat Dec 16 18:46:24 UTC 2023
PRIMARY
FDA UNII
XM665LD5AD
Created by admin on Sat Dec 16 18:46:24 UTC 2023 , Edited by admin on Sat Dec 16 18:46:24 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY