Sodium 5-[[4-[(3-aminobenzoyl)amino]-5-methoxy-O-tolyl]azo]-3-sulfosalicylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H18N4O8S.2Na
Molecular Weight	544.445
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Sodium 5-[[4-[(3-aminobenzoyl)amino]-5-methoxy-O-tolyl]azo]-3-sulfosalicylate

Structure Search

SMILES

[Na+].[Na+].COC1=C(NC(=O)C2=CC(N)=CC=C2)C=C(C)C(=C1)\N=N\C3=CC(=C(O)C(=C3)C([O-])=O)S([O-])(=O)=O

InChI

InChIKey=HCIFPZMKLOUMML-LHPVOXLHSA-L

InChI=1S/C22H20N4O8S.2Na/c1-11-6-17(24-21(28)12-4-3-5-13(23)7-12)18(34-2)10-16(11)26-25-14-8-15(22(29)30)20(27)19(9-14)35(31,32)33;;/h3-10,27H,23H2,1-2H3,(H,24,28)(H,29,30)(H,31,32,33);;/q;2*+1/p-2/b26-25+;;

HIDE SMILES / InChI

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

Molecular Formula	C22H18N4O8S
Molecular Weight	498.465
Charge	-2
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 `Sat Dec 16 20:20:59 GMT 2023` Edited by `admin` on `Sat Dec 16 20:20:59 GMT 2023`
Record UNII	E5L598E4FN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium 5-[[4-[(3-aminobenzoyl)amino]-5-methoxy-O-tolyl]azo]-3-sulfosalicylate

Systematic Name

English

Sodium 5-[[4-[(3-Aminobenzoyl)amino]-5-methoxy-o-tolyl]azo]-3-sulphosalicylate

Systematic Name

English

Disodium (3E)-3-[[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methylphenyl]hydrazinylidene]-6-oxo-5-sulfonatocyclohexa-1,4-diene-1-carboxylate

Systematic Name

English

Benzoic acid, 5-[2-[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methylphenyl]diazenyl]-2-hydroxy-3-sulfo-, sodium salt (1:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

E5L598E4FN

Created by admin on Sat Dec 16 20:20:59 GMT 2023 , Edited by admin on Sat Dec 16 20:20:59 GMT 2023

PRIMARY

CAS

84912-17-4

Created by admin on Sat Dec 16 20:20:59 GMT 2023 , Edited by admin on Sat Dec 16 20:20:59 GMT 2023

PRIMARY

Related Record Type Details


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5-[[4-[(3-aminobenzoyl)amino]-5-methoxy-O-tolyl]azo]-3-sulfosalicylic acid

PARENT -> SALT/SOLVATE

Amount: