SODIUM P-((4-AMINO-2,5-XYLYL)AZO)BENZENESULFONATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H14N3O3S.Na
Molecular Weight	327.334
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of SODIUM P-((4-AMINO-2,5-XYLYL)AZO)BENZENESULFONATE

Structure Search

SMILES

[Na+].CC1=CC(\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)=C(C)C=C1N

InChI

InChIKey=BPFBDBDNMOWZMJ-CMBBICFISA-M

InChI=1S/C14H15N3O3S.Na/c1-9-8-14(10(2)7-13(9)15)17-16-11-3-5-12(6-4-11)21(18,19)20;/h3-8H,15H2,1-2H3,(H,18,19,20);/q;+1/p-1/b17-16+;

HIDE SMILES / InChI

Molecular Formula	C14H14N3O3S
Molecular Weight	304.344
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
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 `Tue Apr 01 19:21:02 GMT 2025` Edited by `admin` on `Tue Apr 01 19:21:02 GMT 2025`
Record UNII	0HV7TS2VTU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SODIUM P-((4-AMINO-2,5-XYLYL)AZO)BENZENESULFONATE

Preferred Name

English

Code System Code Type Description

ECHA (EC/EINECS)

288-766-4

Created by admin on Tue Apr 01 19:21:02 GMT 2025 , Edited by admin on Tue Apr 01 19:21:02 GMT 2025

PRIMARY

CAS

85895-91-6

Created by admin on Tue Apr 01 19:21:02 GMT 2025 , Edited by admin on Tue Apr 01 19:21:02 GMT 2025

PRIMARY

EPA CompTox

DTXSID30235202

Created by admin on Tue Apr 01 19:21:02 GMT 2025 , Edited by admin on Tue Apr 01 19:21:02 GMT 2025

PRIMARY

PUBCHEM

23665401

Created by admin on Tue Apr 01 19:21:02 GMT 2025 , Edited by admin on Tue Apr 01 19:21:02 GMT 2025

PRIMARY

FDA UNII

0HV7TS2VTU

Created by admin on Tue Apr 01 19:21:02 GMT 2025 , Edited by admin on Tue Apr 01 19:21:02 GMT 2025

PRIMARY