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Details

Stereochemistry RACEMIC
Molecular Formula C22H17Cl3N4O4
Molecular Weight 507.754
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYL 2-(3,5-DICHLORO-4-((4-CHLOROPHENYL)CYANOMETHYL)PHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLATE

SMILES

CCCCOC(=O)C1=NN(C(=O)NC1=O)C2=CC(Cl)=C(C(C#N)C3=CC=C(Cl)C=C3)C(Cl)=C2

InChI

InChIKey=VPEKFQFFFQWWNK-UHFFFAOYSA-N
InChI=1S/C22H17Cl3N4O4/c1-2-3-8-33-21(31)19-20(30)27-22(32)29(28-19)14-9-16(24)18(17(25)10-14)15(11-26)12-4-6-13(23)7-5-12/h4-7,9-10,15H,2-3,8H2,1H3,(H,27,30,32)

HIDE SMILES / InChI

Molecular Formula C22H17Cl3N4O4
Molecular Weight 507.754
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:45:02 GMT 2025
Edited
by admin
on Mon Mar 31 18:45:02 GMT 2025
Record UNII
N0K50JW5LH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DICLAZURIL FOR VETERINARY USE IMPURITY G [EP IMPURITY]
Preferred Name English
BUTYL 2-(3,5-DICHLORO-4-((4-CHLOROPHENYL)CYANOMETHYL)PHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLATE
Systematic Name English
DICLAZURIL IMPURITY G
Common Name English
BUTYL 2-(3,5-DICHLORO-4-((RS)-(4-CHLOROPHENYL)CYANOMETHYL)PHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLATE
Systematic Name English
(±)-BUTYL 2-(3,5-DICHLORO-4-((4-CHLOROPHENYL)CYANOMETHYL)PHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLATE
Systematic Name English
Code System Code Type Description
PUBCHEM
131667556
Created by admin on Mon Mar 31 18:45:02 GMT 2025 , Edited by admin on Mon Mar 31 18:45:02 GMT 2025
PRIMARY
FDA UNII
N0K50JW5LH
Created by admin on Mon Mar 31 18:45:02 GMT 2025 , Edited by admin on Mon Mar 31 18:45:02 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY