2-(3,5-DICHLORO-4-((RS)-(4-CHLOROPHENYL)CYANOMETHYL)PHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H9Cl3N4O4
Molecular Weight	451.647
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(3,5-DICHLORO-4-((RS)-(4-CHLOROPHENYL)CYANOMETHYL)PHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID

SMILES

OC(=O)C1=NN(C(=O)NC1=O)C2=CC(Cl)=C(C(C#N)C3=CC=C(Cl)C=C3)C(Cl)=C2

InChI

InChIKey=AHUKSKRPLYKKLC-UHFFFAOYSA-N

InChI=1S/C18H9Cl3N4O4/c19-9-3-1-8(2-4-9)11(7-22)14-12(20)5-10(6-13(14)21)25-18(29)23-16(26)15(24-25)17(27)28/h1-6,11H,(H,27,28)(H,23,26,29)

HIDE SMILES / InChI

Molecular Formula	C18H9Cl3N4O4
Molecular Weight	451.647
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical
Record UNII	P1W2W64FNW
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

1,2,4-TRIAZINE-6-CARBOXYLIC ACID, 2-(3,5-DICHLORO-4-((4-CHLOROPHENYL)CYANOMETHYL)PHENYL)-2,3,4,5-TETRAHYDRO-3,5-DIOXO-

Preferred Name

English

2-(3,5-DICHLORO-4-((RS)-(4-CHLOROPHENYL)CYANOMETHYL)PHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID

Systematic Name

English

DICLAZURIL IMPURITY A

Common Name

English

DICLAZURIL IMPURITY, 6-CARBOXYLIC ACID- [USP IMPURITY]

Common Name

English

2-(3,5-DICHLORO-4-((4-CHLOROPHENYL)CYANOMETHYL)PHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID, (±)-

Common Name

English

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Code System

Code

Type

Description

PUBCHEM

18942170

PRIMARY

FDA UNII

P1W2W64FNW

PRIMARY

CAS

862243-46-7

PRIMARY

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