4-Aminonaphthalene-2,7-disulphonic acid (CED0113916)

Record Information

Version

1.0

Creation Date

2026-04-04 19:46:37 UTC

Update Date

2026-08-18 07:11:32 UTC

SynCED ID

CED0113916

Secondary Accession Numbers

CHEM079951

Identification

Common Name

4-Aminonaphthalene-2,7-disulphonic acid

Class

Small Molecule

Description

4-Aminonaphthalene-2,7-disulphonic acid belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. This benzenoid compound has the formula C10H9NO6S2 and an average molecular weight of 303.30 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₉NO₆S₂

Average Molecular Mass

303.300 g/mol

Monoisotopic Mass

302.987 g/mol

CAS Registry Number

6251-07-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

NC1=C2C=CC(=CC2=CC(=C1)S(O)(=O)=O)S(O)(=O)=O

InChI Identifier

InChI=1/C10H9NO6S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5H,11H2,(H,12,13,14)(H,15,16,17)

InChI Key

NDYYJXGERWTRSD-UHFFFAOYSA-N

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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
6571.0 Log mg/kg [3700:12000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000592	Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.	Marine, shipping & aquaculture	PubChem
CEDs000594	Ship Hulls?Ship hulls are often treated with various synthetic chemicals to enhance durability, prevent corrosion, and inhibit the growth of marine organisms.	Marine, shipping & aquaculture	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000631	Anthraquinone Dyes?Anthraquinone dyes are a class of synthetic organic compounds characterized by their vibrant colors and stability, making them widely used in various applications, particularly in coloring textiles and leather.	Textiles, leather & furnishings	PubChem
CEDs000633	Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.	Textiles, leather & furnishings	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000742	Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.	Textiles, leather & furnishings	PubChem

Pathways

0 pathwaysPathway Source: PathBank

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	Sentrin-specific protease 2	Q9HC62	Humans	Predicted (SEA)	Prediction Confidence Score 0.363 Applicability Domain 0.413 Statistical Significance 7.00e-05 Supporting Reference Compounds 10 E-value 0.544945
Click to view 3D structure	Sentrin-specific protease 3	Q9H4L4	Humans	Predicted (SEA)	Prediction Confidence Score 0.344 Applicability Domain 0.407 Statistical Significance 4.00e-05 Supporting Reference Compounds 3 E-value 0.311397
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	Prediction Confidence Score 0.338 Applicability Domain 0.413 Statistical Significance 0.0031 Supporting Reference Compounds 118 E-value 24.5225
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.333 Statistical Significance 0.0059 Supporting Reference Compounds 64 E-value 45.7753
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.333 Statistical Significance 0.0252 Supporting Reference Compounds 472 E-value 195.946
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.323 Applicability Domain 0.333 Statistical Significance 0.0129 Supporting Reference Compounds 242 E-value 100.425
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.323 Applicability Domain 0.333 Statistical Significance 0.0191 Supporting Reference Compounds 332 E-value 148.536
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.323 Applicability Domain 0.333 Statistical Significance 0.0098 Supporting Reference Compounds 172 E-value 76.4479
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0219 Supporting Reference Compounds 372 E-value 170.334
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0031 Supporting Reference Compounds 40 E-value 24.289
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0033 Supporting Reference Compounds 38 E-value 25.9238
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0049 Supporting Reference Compounds 46 E-value 38.3797
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0031 Supporting Reference Compounds 43 E-value 23.8219
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0039 Supporting Reference Compounds 60 E-value 30.5169
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0076 Supporting Reference Compounds 151 E-value 59.399
Click to view 3D structure	Carbonic anhydrase, alpha family	Q31FD6	Thiomicrospira crunogena	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0031 Supporting Reference Compounds 41 E-value 24.289
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0046 Supporting Reference Compounds 68 E-value 35.4992
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0243 Supporting Reference Compounds 407 E-value 189.485
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0031 Supporting Reference Compounds 41 E-value 23.8219
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0051 Supporting Reference Compounds 78 E-value 40.0145
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0048 Supporting Reference Compounds 55 E-value 37.2119
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0094 Supporting Reference Compounds 193 E-value 73.0226
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0041 Supporting Reference Compounds 70 E-value 31.6068
Click to view 3D structure	Carbonic anhydrase	P40881	Methanosarcina thermophila	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0016 Supporting Reference Compounds 22 E-value 12.378
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.333 Statistical Significance 0.0083 Supporting Reference Compounds 157 E-value 64.537