Disodium 8-(phenylamino)-5-[[4-[(5-sulphonatonaphthyl)azo]naphthyl]azo]naphthalenesulphonate (CED0109191)

Record Information

Version

1.0

Creation Date

2026-04-04 21:13:20 UTC

Update Date

2026-04-17 16:45:11 UTC

Accession Number

CHEM081989

Identification

Common Name

Disodium 8-(phenylamino)-5-[[4-[(5-sulphonatonaphthyl)azo]naphthyl]azo]naphthalenesulphonate

Class

Small Molecule

Description

Disodium 8-(phenylamino)-5-[[4-[(5-sulphonatonaphthyl)azo]naphthyl]azo]naphthalenesulphonate is an organic compound with the formula C36H25N5O6S2. Disodium 8-(phenylamino)-5-[[4-[(5-sulphonatonaphthyl)azo]naphthyl]azo]naphthalenesulphonate belongs to the 1,1'-azonaphthalenes, a subclass of naphthalenes within the organic compounds. With an average molecular weight of 731.71 g/mol, Disodium 8-(phenylamino)-5-[[4-[(5-sulphonatonaphthyl)azo]naphthyl]azo]naphthalenesulphonate is a heavy molecule. This compound is identified in three recorded sources. Within household cleaning and consumer products, it is found in soap detergents and bleaching agents. Additionally, it has been released from sources in building and construction, specifically from ladders.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₆H₂₅N₅O₆S₂

Average Molecular Mass

731.710 g/mol

Monoisotopic Mass

687.125 g/mol

CAS Registry Number

3071-73-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC2=C1C=CC=C2N=NC1=CC=C(N=NC2=CC=C(NC3=CC=CC=C3)C3=C2C=CC=C3S([O-])(=O)=O)C2=C1C=CC=C2

InChI Identifier

InChI=1/C36H25N5O6S2.2Na/c42-48(43,44)34-17-7-13-26-27(34)14-6-16-29(26)38-39-30-19-20-31(25-12-5-4-11-24(25)30)40-41-32-21-22-33(37-23-9-2-1-3-10-23)36-28(32)15-8-18-35(36)49(45,46)47;;/h1-22,37H,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

InChI Key

OLPWJTQWWFWEFS-UHFFFAOYSA-L

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
5479.0	Log mg/kg	[3100:9700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
498	Ladders	Building & Construction	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	1196.0
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	1488.63
Click to view 3D structure	Sentrin-specific protease 2	Q9HC62	Humans	Predicted (SEA)	25.3788
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	1120.48
Click to view 3D structure	Signal transducer and activator of transcription 5A	P42229	Humans	Predicted (SEA)	13.935
Click to view 3D structure	P2Y purinoceptor 4	P51582	Humans	Predicted (SEA)	8.32987
Click to view 3D structure	P2Y purinoceptor 12	Q9H244	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	P2Y purinoceptor 2	P41231	Humans	Predicted (SEA)	28.7264
Click to view 3D structure	P2X purinoceptor 2	P49653	Rattus norvegicus	Predicted (SEA)	12.6116
Click to view 3D structure	P2Y purinoceptor 6	Q15077	Humans	Predicted (SEA)	9.73115
Click to view 3D structure	Transitional endoplasmic reticulum ATPase	Q01853	Mus musculus	Predicted (SEA)	0.700643
Click to view 3D structure	P2X purinoceptor 4	P51577	Rattus norvegicus	Predicted (SEA)	11.2881
Click to view 3D structure	5'-nucleotidase	P21588	Rattus norvegicus	Predicted (SEA)	16.0369
Click to view 3D structure	P2Y purinoceptor 6	Q63371	Rattus norvegicus	Predicted (SEA)	8.25202
Click to view 3D structure	Nucleoside triphosphate diphosphohydrolase 3	A6I415	Rattus norvegicus	Predicted (SEA)	1.16774
Click to view 3D structure	Choline O-acetyltransferase	P28329	Humans	Predicted (SEA)	1.16774
Click to view 3D structure	P2X purinoceptor 1	P47824	Rattus norvegicus	Predicted (SEA)	15.492
Click to view 3D structure	Alpha-(1,6)-fucosyltransferase	Q9BYC5	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	P2Y purinoceptor 1	P47900	Humans	Predicted (SEA)	85.712
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	2015.91
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	346.195
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	225.918
Click to view 3D structure	Aldo-keto reductase family 1 member C2	P52895	Humans	Predicted (SEA)	183.179
Click to view 3D structure	Sentrin-specific protease 3	Q9H4L4	Humans	Predicted (SEA)	1.24559
Click to view 3D structure	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	152.351