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Details

Stereochemistry RACEMIC
Molecular Formula C17H8Cl3N4O2.Na
Molecular Weight 429.62
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICLAZURIL SODIUM

SMILES

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

InChI

InChIKey=HMGDHGGCYNUBOJ-UHFFFAOYSA-M
InChI=1S/C17H9Cl3N4O2.Na/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 Na
Molecular Weight 22.9898
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 11:14:55 UTC 2023
Edited
by admin
on Sat Dec 16 11:14:55 UTC 2023
Record UNII
5K4327702E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DICLAZURIL SODIUM
Common Name English
BENZENEACETONITRILE, 2,6-DICHLORO-.ALPHA.-(4-CHLOROPHENYL)-4-(4,5-DIHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-2(3H)-YL)-, SODIUM 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)-, SODIUM SALT (1:1)
Systematic Name English
SODIUM DICLAZURIL
Common Name English
Code System Code Type Description
CAS
112209-99-1
Created by admin on Sat Dec 16 11:14:56 UTC 2023 , Edited by admin on Sat Dec 16 11:14:56 UTC 2023
PRIMARY
FDA UNII
5K4327702E
Created by admin on Sat Dec 16 11:14:56 UTC 2023 , Edited by admin on Sat Dec 16 11:14:56 UTC 2023
PRIMARY
PUBCHEM
59915424
Created by admin on Sat Dec 16 11:14:56 UTC 2023 , Edited by admin on Sat Dec 16 11:14:56 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE