CI-953

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H12ClN3O.ClH
Molecular Weight	298.168
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC1=C(NC(=O)NC2=CC=NC=C2)C(Cl)=CC=C1

InChI

InChIKey=AQIVEWAADQUAHH-UHFFFAOYSA-N

InChI=1S/C13H12ClN3O.ClH/c1-9-3-2-4-11(14)12(9)17-13(18)16-10-5-7-15-8-6-10;/h2-8H,1H3,(H2,15,16,17,18);1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C13H12ClN3O
Molecular Weight	261.707
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 `Mon Mar 31 18:10:58 GMT 2025` Edited by `admin` on `Mon Mar 31 18:10:58 GMT 2025`
Record UNII	4DX3VNX2XV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CI-953

Code

English

N-(2-CHLORO-6-METHYLPHENYL)-N'-4-PYRIDINYLUREA HYDROCHLORIDE

Preferred Name

English

UREA, N-(2-CHLORO-6-METHYLPHENYL)-N'-4-PYRIDINYL-, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

124421-10-9

Created by admin on Mon Mar 31 18:10:58 GMT 2025 , Edited by admin on Mon Mar 31 18:10:58 GMT 2025

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EPA CompTox

DTXSID30924801

Created by admin on Mon Mar 31 18:10:58 GMT 2025 , Edited by admin on Mon Mar 31 18:10:58 GMT 2025

PRIMARY

PUBCHEM

130177

Created by admin on Mon Mar 31 18:10:58 GMT 2025 , Edited by admin on Mon Mar 31 18:10:58 GMT 2025

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FDA UNII

4DX3VNX2XV

Created by admin on Mon Mar 31 18:10:58 GMT 2025 , Edited by admin on Mon Mar 31 18:10:58 GMT 2025

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Related Record Type Details


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