TRICLABENDAZOLE SULFOXIDE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H9Cl3N2O2S
Molecular Weight	375.657
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRICLABENDAZOLE SULFOXIDE

Structure Search

SMILES

C[S+]([O-])C1=NC2=CC(Cl)=C(OC3=CC=CC(Cl)=C3Cl)C=C2N1

InChI

InChIKey=GABQPFWIQFRJSE-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C14H9Cl3N2O2S
Molecular Weight	375.657
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 `Fri Dec 15 19:48:34 UTC 2023` Edited by `admin` on `Fri Dec 15 19:48:34 UTC 2023`
Record UNII	KY3O5E011U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRICLABENDAZOLE SULFOXIDE

Common Name

English

6-CHLORO-5-(2,3-DICHLOROPHENOXY)-2-(METHYLSULFINYL)-1H-BENZIMIDAZOLE

Systematic Name

English

1H-BENZIMIDAZOLE, 6-CHLORO-5-(2,3-DICHLOROPHENOXY)-2-(METHYLSULFINYL)-

Systematic Name

English

TRICLABENDAZOLE FOR VETERINARY USE IMPURITY A [EP IMPURITY]

Common Name

English

5-CHLORO-6-(2,3-DICHLOROPHENOXY)-2-(METHYLSULFINYL)-1H-BENZIMIDAZOLE

Systematic Name

English

CGP023031

Common Name

English

CGA-110752

Code

English

TRICLABENDAZOLE METABOLITE M7

Common Name

English

Code System Code Type Description

FDA UNII

KY3O5E011U

Created by admin on Fri Dec 15 19:48:35 UTC 2023 , Edited by admin on Fri Dec 15 19:48:35 UTC 2023

PRIMARY

CAS

100648-13-3

Created by admin on Fri Dec 15 19:48:35 UTC 2023 , Edited by admin on Fri Dec 15 19:48:35 UTC 2023

PRIMARY

EPA CompTox

DTXSID80905640

Created by admin on Fri Dec 15 19:48:35 UTC 2023 , Edited by admin on Fri Dec 15 19:48:35 UTC 2023

PRIMARY

RS_ITEM_NUM

1681622

Created by admin on Fri Dec 15 19:48:35 UTC 2023 , Edited by admin on Fri Dec 15 19:48:35 UTC 2023

PRIMARY

PUBCHEM

127657

Created by admin on Fri Dec 15 19:48:35 UTC 2023 , Edited by admin on Fri Dec 15 19:48:35 UTC 2023

PRIMARY

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Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC