ALTERNATIVE DEFINITION for [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	RACEMIC
Molecular Formula	C23H21Cl2N8O5S.Na
Molecular Weight	615.424
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [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=C(C(=C2)\N=N\C3C(C)=NN(C3=O)C4=C(Cl)C=CC=C4C)S([O-])(=O)=O)=NC(Cl)=N1

InChI

InChIKey=UUNHWKOZITUDQI-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;/h5-11,18H,1-4H3,(H,35,36,37)(H,26,27,28,29);/q;+1/p-1/b31-30+;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	C23H21Cl2N8O5S
Molecular Weight	592.434
Charge	-1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 04:34:12 GMT 2025` Edited by `admin` on `Wed Apr 02 04:34:12 GMT 2025`
Record UNII	158LQ9WJ3G
Record Status	`alternative`
Record Version

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					158LQ9WJ3G

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

Related Record Type Details


					158LQ9WJ3G

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

Primary Definition