2,4-dibutylnaphthalene-1-sulfonic acid (CED0264920)

Record Information

Version

1.0

Creation Date

2026-08-29 10:59:25 UTC

Update Date

2026-08-29 10:59:25 UTC

SynCED ID

CED0264920

Secondary Accession Numbers

CHEM309914

Identification

Common Name

2,4-dibutylnaphthalene-1-sulfonic acid

Class

Small Molecule

Description

2,4-dibutylnaphthalene-1-sulfonic acid is a chemical compound with the formula C18H24O3S. It has an average molecular weight of 320.40 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₂₄O₃S

Average Molecular Mass

Not Available

Monoisotopic Mass

320.145 g/mol

CAS Registry Number

25377-92-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCC1=CC(=C(C2=CC=CC=C21)S(=O)(=O)O)CCCC

InChI Identifier

InChI=1S/C18H24O3S/c1-3-5-9-14-13-15(10-6-4-2)18(22(19,20)21)17-12-8-7-11-16(14)17/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,19,20,21)

InChI Key

JCRNSBKSAQHNIN-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
2769.0 Log mg/kg [1600:4900]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000705	Bookbinding?Bookbinding involves the use of various synthetic chemicals, including adhesives, inks, and coatings, which can contribute to environmental contamination.	Paper, pulp & fiber products	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	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.298 Low confidence Statistical Significance 0.0345 Supporting Reference Compounds 175 E-value 268.658
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.318 Statistical Significance 0.0282 Supporting Reference Compounds 182 E-value 219.301
Click to view 3D structure	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1	P08487	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.278 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 3 E-value 13.6236
Click to view 3D structure	Vitamin K epoxide reductase complex subunit 1	Q6TEK4	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.314 Statistical Significance 9.70e-04 Supporting Reference Compounds 2 E-value 7.55137
Click to view 3D structure	Polyphenol oxidase 1	Q00024	Agaricus bisporus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.366 Statistical Significance 4.10e-04 Supporting Reference Compounds 2 E-value 3.19182
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.31 Statistical Significance 0.106 Supporting Reference Compounds 472 E-value 825.357
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.31 Statistical Significance 0.0979 Supporting Reference Compounds 407 E-value 762.066
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.298 Low confidence Statistical Significance 0.0658 Supporting Reference Compounds 200 E-value 512.559
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.275 Low confidence Statistical Significance 0.2409 Supporting Reference Compounds 1103 E-value 1875.39
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.313 Statistical Significance 0.047 Supporting Reference Compounds 215 E-value 365.813
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.294 Low confidence Statistical Significance 0.0676 Supporting Reference Compounds 201 E-value 526.183
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.269 Low confidence Statistical Significance 0.1615 Supporting Reference Compounds 593 E-value 1257.58
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 3	Q64518	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.256 Low confidence Statistical Significance 0.004 Supporting Reference Compounds 1 E-value 30.8283
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.275 Low confidence Statistical Significance 0.2182 Supporting Reference Compounds 861 E-value 1698.98
Click to view 3D structure	Beta-ketoacyl-ACP-synthase III	O77078	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.255 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 1 E-value 15.6477
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.269 Low confidence Statistical Significance 0.2342 Supporting Reference Compounds 823 E-value 1823.31
Click to view 3D structure	Fe(3+)-Zn(2+) purple acid phosphatase	P80366	Phaseolus vulgaris	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.254 Low confidence Statistical Significance 0.0056 Supporting Reference Compounds 1 E-value 43.362
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX12	P18054	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.318 Statistical Significance 0.0043 Supporting Reference Compounds 31 E-value 33.6309
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.263 Low confidence Statistical Significance 0.0203 Supporting Reference Compounds 83 E-value 158.345
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.269 Low confidence Statistical Significance 0.1735 Supporting Reference Compounds 506 E-value 1350.76
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.262 Low confidence Statistical Significance 0.1186 Supporting Reference Compounds 332 E-value 923.214
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.269 Low confidence Statistical Significance 0.2963 Supporting Reference Compounds 955 E-value 2306.67
Click to view 3D structure	5,6-dihydroxyindole-2-carboxylic acid oxidase	P07147	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.366 Statistical Significance 5.20e-04 Supporting Reference Compounds 2 E-value 4.04816
Click to view 3D structure	Acidic phospholipase A2 CM-I	P00602	Naja mossambica	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.007 Supporting Reference Compounds 1 E-value 54.2609
Click to view 3D structure	Cytosolic phospholipase A2	A4IFJ5	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0043 Supporting Reference Compounds 1 E-value 33.7087