U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C17H8Cl3N4O2.K
Molecular Weight 445.728
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICLAZURIL POTASSIUM

SMILES

[K+].ClC1=CC=C(C=C1)C(C#N)C2=C(Cl)C=C(C=C2Cl)N3N=CC(=O)[N-]C3=O

InChI

InChIKey=DRQXVXWPWDXDBP-UHFFFAOYSA-M
InChI=1S/C17H9Cl3N4O2.K/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24;/h1-6,8,12H,(H,23,25,26);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H9Cl3N4O2
Molecular Weight 407.638
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 Sat Dec 16 11:14:56 GMT 2023
Edited
by admin
on Sat Dec 16 11:14:56 GMT 2023
Record UNII
AOB5K15OPH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DICLAZURIL POTASSIUM
Common Name English
BENZENEACETONITRILE, 2,6-DICHLORO-.ALPHA.-(4-CHLOROPHENYL)-4-(4,5-DIHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-2(3H)-YL)-, POTASSIUM SALT
Common Name English
BENZENEACETONITRILE, 2,6-DICHLORO-.ALPHA.-(4-CHLOROPHENYL)-4-(4,5-DIHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-2(3H)-YL)-, POTASSIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
126961362
Created by admin on Sat Dec 16 11:14:56 GMT 2023 , Edited by admin on Sat Dec 16 11:14:56 GMT 2023
PRIMARY
FDA UNII
AOB5K15OPH
Created by admin on Sat Dec 16 11:14:56 GMT 2023 , Edited by admin on Sat Dec 16 11:14:56 GMT 2023
PRIMARY
CAS
112209-98-0
Created by admin on Sat Dec 16 11:14:56 GMT 2023 , Edited by admin on Sat Dec 16 11:14:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE