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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H9Cl3N2O2S
Molecular Weight 375.657
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRICLABENDAZOLE SULPHONE

SMILES

CS(=O)(=O)C1=NC2=C(N1)C=C(Cl)C(=C2)C3=CC=CC(Cl)=C3Cl

InChI

InChIKey=UEGYTVWZVSLOGH-UHFFFAOYSA-N
InChI=1S/C14H9Cl3N2O2S/c1-22(20,21)14-18-11-5-8(10(16)6-12(11)19-14)7-3-2-4-9(15)13(7)17/h2-6H,1H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C14H9Cl3N2O2S
Molecular Weight 375.657
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 02:31:10 UTC 2019
Edited
by admin
on Tue Oct 22 02:31:10 UTC 2019
Record UNII
16SBQ0WJ7M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRICLABENDAZOLE SULPHONE
Common Name English
1H-BENZIMIDAZOLE, 6-CHLORO-5-(2,3-DICHLOROPHENYL)-2-(METHYLSULFONYL)-
Systematic Name English
TRICLABENDAZOLE METABOLITE (SULFONE METABOLITE)
Common Name English
Code System Code Type Description
CAS
139079-38-2
Created by admin on Tue Oct 22 02:31:11 UTC 2019 , Edited by admin on Tue Oct 22 02:31:11 UTC 2019
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
BINDER->LIGAND
BINDING
METABOLIC ENZYME -> INHIBITOR
METABOLIC ENZYME -> INHIBITOR
METABOLIC ENZYME -> INHIBITOR
METABOLIC ENZYME -> INHIBITOR
METABOLIC ENZYME -> INHIBITOR
METABOLIC ENZYME -> INHIBITOR
METABOLIC ENZYME -> INHIBITOR
MAJOR
TARGET ORGANISM->INHIBITOR
METABOLIC ENZYME -> INHIBITOR
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC