EMD-122801

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H23N2O7S.Na
Molecular Weight	542.535
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].COC1=CC=C(C=C1)C(=O)C(\CC2=CC(OC)=C(OC)C(OC)=C2)=C(\C([O-])=O)C3=CC4=NSN=C4C=C3

InChI

InChIKey=COKFAUSKNMGISZ-UUWMJBOLSA-M

InChI=1S/C27H24N2O7S.Na/c1-33-18-8-5-16(6-9-18)25(30)19(11-15-12-22(34-2)26(36-4)23(13-15)35-3)24(27(31)32)17-7-10-20-21(14-17)29-37-28-20;/h5-10,12-14H,11H2,1-4H3,(H,31,32);/q;+1/p-1/b24-19+;

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	C27H23N2O7S
Molecular Weight	519.546
Charge	-1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:22:27 GMT 2025` Edited by `admin` on `Wed Apr 02 11:22:27 GMT 2025`
Record UNII	XAV7XXC2BS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

EMD-122801

Code

English

2,1,3-BENZOTHIADIAZOLE-5-ACETIC ACID, .ALPHA.-(2-(4-METHOXYPHENYL)-2-OXO-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)ETHYLIDENE)-, SODIUM SALT

Preferred Name

English

2,1,3-BENZOTHIADIAZOLE-5-ACETIC ACID, .ALPHA.-(2-(4-METHOXYPHENYL)-2-OXO-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)ETHYLIDENE)-, SODIUM SALT (1:1)

Systematic Name

English

EMD122801

Code

English

Code System Code Type Description

PUBCHEM

88254737

Created by admin on Wed Apr 02 11:22:27 GMT 2025 , Edited by admin on Wed Apr 02 11:22:27 GMT 2025

PRIMARY

FDA UNII

XAV7XXC2BS

Created by admin on Wed Apr 02 11:22:27 GMT 2025 , Edited by admin on Wed Apr 02 11:22:27 GMT 2025

PRIMARY

CAS

195505-82-9

Created by admin on Wed Apr 02 11:22:27 GMT 2025 , Edited by admin on Wed Apr 02 11:22:27 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

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