Perfluoroalkanesulfonamido quaternary ammonium oxide, n=4 (CED0001746)

Record Information

Version

1.0

Creation Date

2026-04-05 15:03:17 UTC

Update Date

2026-09-01 15:23:41 UTC

SynCED ID

CED0001746

Secondary Accession Numbers

CHEM104099

Identification

Common Name

Perfluoroalkanesulfonamido quaternary ammonium oxide, n=4

Class

Small Molecule

Description

Perfluoroalkanesulfonamido quaternary ammonium oxide, n=4 belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. This compound has the chemical formula C9H13F9N2O3S and an average molecular weight of 400.26 g/mol. The substance is found in or released from 13 recorded sources across several sectors. Within Electrical & Electronic Equipment, it is associated with capacitors, batteries, cell phones, printed circuit boards, wires and cables, and one additional source. In the Textiles, leather & furnishings sector, it is linked to carpets, rugs, and synthetic textiles. Other recorded sources include food packaging from the Food, food processing & cookware sector, medical devices from the Healthcare, pharmaceuticals & veterinary products sector, and lubricants from both the Energy, oil & gas and Industrial manufacturing & chemical processing sectors, as well as one further sector. Recorded exposure routes for this compound include oral, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₃F₉N₂O₃S

Average Molecular Mass

400.260 g/mol

Monoisotopic Mass

400.050 g/mol

CAS Registry Number

178094-76-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[N+](C)([O-])CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI Identifier

InChI=1S/C9H13F9N2O3S/c1-20(2,21)5-3-4-19-24(22,23)9(17,18)7(12,13)6(10,11)8(14,15)16/h19H,3-5H2,1-2H3

InChI Key

HQIKMYJOLJOSOX-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
259.0 Log mg/kg [150:460]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available

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	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.256 Low confidence Statistical Significance 0.505 Supporting Reference Compounds 407 E-value 3931.15
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.229 Low confidence Statistical Significance 0.1829 Supporting Reference Compounds 55 E-value 1423.55
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.256 Low confidence Statistical Significance 0.633 Supporting Reference Compounds 242 E-value 4927.54
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.229 Low confidence Statistical Significance 0.0041 Supporting Reference Compounds 6 E-value 32.0739
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.25 Low confidence Statistical Significance 0.7924 Supporting Reference Compounds 472 E-value 6168.54
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.256 Low confidence Statistical Significance 0.5573 Supporting Reference Compounds 172 E-value 4338.54
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.229 Low confidence Statistical Significance 0.1045 Supporting Reference Compounds 20 E-value 813.602
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.256 Low confidence Statistical Significance 0.8249 Supporting Reference Compounds 332 E-value 6422.17
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.25 Low confidence Statistical Significance 0.9021 Supporting Reference Compounds 400 E-value 7022.7
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.197 Low confidence Statistical Significance 0.9751 Supporting Reference Compounds 953 E-value 7590.77
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.25 Low confidence Statistical Significance 0.8939 Supporting Reference Compounds 292 E-value 6959.25
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.197 Low confidence Statistical Significance 0.97 Supporting Reference Compounds 565 E-value 7551.14
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.197 Low confidence Statistical Significance 0.9847 Supporting Reference Compounds 955 E-value 7665.73
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.25 Low confidence Statistical Significance 0.371 Supporting Reference Compounds 64 E-value 2888.28
Click to view 3D structure	Carbonic anhydrase 2	P00921	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.194 Low confidence Statistical Significance 0.1489 Supporting Reference Compounds 22 E-value 1159.33
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.25 Low confidence Statistical Significance 0.9302 Supporting Reference Compounds 258 E-value 7241.92
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.197 Low confidence Statistical Significance 0.9792 Supporting Reference Compounds 536 E-value 7623.0
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.17 Low confidence Statistical Significance 0.9359 Supporting Reference Compounds 372 E-value 7286.06
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.197 Low confidence Statistical Significance 0.9899 Supporting Reference Compounds 823 E-value 7706.68
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.154 Low confidence Statistical Significance 0.0071 Supporting Reference Compounds 1 E-value 55.6622
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.25 Low confidence Statistical Significance 0.8803 Supporting Reference Compounds 176 E-value 6852.99
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.169 Low confidence Statistical Significance 0.8633 Supporting Reference Compounds 102 E-value 6720.41
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.174 Low confidence Statistical Significance 0.8552 Supporting Reference Compounds 165 E-value 6657.35
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.233 Low confidence Statistical Significance 0.7919 Supporting Reference Compounds 83 E-value 6165.27
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.161 Low confidence Statistical Significance 0.9962 Supporting Reference Compounds 1245 E-value 7755.18