SODIUM 4-((4-CHLORO-6-ISOPROPOXY-1,3,5-TRIAZIN-2-YL)AMINO)-2-(2-(1-(2-CHLORO-6-METHYLPHENYL)-3-METHYL-5-OXO-4H-PYRAZOL-4-YL)DIAZEN-1-YL)BENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H21Cl2N8O5S.Na
Molecular Weight	615.424
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 4-((4-CHLORO-6-ISOPROPOXY-1,3,5-TRIAZIN-2-YL)AMINO)-2-(2-(1-(2-CHLORO-6-METHYLPHENYL)-3-METHYL-5-OXO-4H-PYRAZOL-4-YL)DIAZEN-1-YL)BENZENESULFONATE

Structure Search

SMILES

[Na+].CC(C)OC1=NC(NC2=CC(\N=N\C3=C(O)N(N=C3C)C4=C(C)C=CC=C4Cl)=C(C=C2)S([O-])(=O)=O)=NC(Cl)=N1

InChI

InChIKey=JCLZURRMXYPTOR-FJISBNMDSA-M

InChI=1S/C23H22Cl2N8O5S.Na/c1-11(2)38-23-28-21(25)27-22(29-23)26-14-8-9-17(39(35,36)37)16(10-14)30-31-18-13(4)32-33(20(18)34)19-12(3)6-5-7-15(19)24;/h5-11,34H,1-4H3,(H,35,36,37)(H,26,27,28,29);/q;+1/p-1/b31-30+;

HIDE SMILES / InChI

Molecular Formula	C23H21Cl2N8O5S
Molecular Weight	592.434
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:16:13 GMT 2023` Edited by `admin` on `Sat Dec 16 11:16:13 GMT 2023`
Record UNII	158LQ9WJ3G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 4-((4-CHLORO-6-ISOPROPOXY-1,3,5-TRIAZIN-2-YL)AMINO)-2-(2-(1-(2-CHLORO-6-METHYLPHENYL)-3-METHYL-5-OXO-4H-PYRAZOL-4-YL)DIAZEN-1-YL)BENZENESULFONATE

Systematic Name

English

BENZENESULFONIC ACID, 4-((4-CHLORO-6-(1-METHYLETHOXY)-1,3,5-TRIAZIN-2-YL)AMINO)-2-((1-(2-CHLORO-6-METHYLPHENYL)-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL)AZO)-, MONOSODIUM SALT

Systematic Name

English

BENZENESULFONIC ACID, 4-((4-CHLORO-6-(1-METHYLETHOXY)-1,3,5-TRIAZIN-2-YL)AMINO)-2-(2-(1-(2-CHLORO-6-METHYLPHENYL)-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL)DIAZENYL)-, SODIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

158LQ9WJ3G

Created by admin on Sat Dec 16 11:16:13 GMT 2023 , Edited by admin on Sat Dec 16 11:16:13 GMT 2023

PRIMARY

EPA CompTox

DTXSID801009053

Created by admin on Sat Dec 16 11:16:13 GMT 2023 , Edited by admin on Sat Dec 16 11:16:13 GMT 2023

PRIMARY

CAS

89923-50-2

Created by admin on Sat Dec 16 11:16:13 GMT 2023 , Edited by admin on Sat Dec 16 11:16:13 GMT 2023

PRIMARY

ECHA (EC/EINECS)

289-541-3

Created by admin on Sat Dec 16 11:16:13 GMT 2023 , Edited by admin on Sat Dec 16 11:16:13 GMT 2023

PRIMARY

Related Record Type Details


					17E95CEZ1Q

4-((4-CHLORO-6-ISOPROPOXY-1,3,5-TRIAZIN-2-YL)AMINO)-2-(2-(1-(2-CHLORO-6-METHYLPHENYL)-3-METHYL-5-OXO-4H-PYRAZOL-4-YL)DIAZEN-1-YL)BENZENESULFONIC ACID

PARENT -> SALT/SOLVATE