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Details

Stereochemistry ACHIRAL
Molecular Formula C18H13ClF3N5O3
Molecular Weight 439.776
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Chloro-5-((1-((1,4-dimethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl) methyl)-2-oxo-4-(trifluromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile

SMILES

CN1N=C(CN2C=CC(=C(OC3=CC(Cl)=CC(=C3)C#N)C2=O)C(F)(F)F)N(C)C1=O

InChI

InChIKey=DJRPFQBGDCLROR-UHFFFAOYSA-N
InChI=1S/C18H13ClF3N5O3/c1-25-14(24-26(2)17(25)29)9-27-4-3-13(18(20,21)22)15(16(27)28)30-12-6-10(8-23)5-11(19)7-12/h3-7H,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H13ClF3N5O3
Molecular Weight 439.776
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:04:29 GMT 2025
Edited
by admin
on Wed Apr 02 20:04:29 GMT 2025
Record UNII
R7CFM7G4LN
Record Status Validated (UNII)
Record Version
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Name Type Language
3-Chloro-5-((1-((1,4-dimethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl) methyl)-2-oxo-4-(trifluromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile
Systematic Name English
DORAVIRINE IMPURITY A
Preferred Name English
Code System Code Type Description
FDA UNII
R7CFM7G4LN
Created by admin on Wed Apr 02 20:04:29 GMT 2025 , Edited by admin on Wed Apr 02 20:04:29 GMT 2025
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Related Record Type Details
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