(2,5-dioxopyrrolidin-1-yl) 4-azidobenzoate (CED0069973)

Record Information

Version

1.0

Creation Date

2026-08-18 14:48:30 UTC

Update Date

2026-08-18 14:48:30 UTC

SynCED ID

CED0069973

Secondary Accession Numbers

CHEM161758

Identification

Common Name

(2,5-dioxopyrrolidin-1-yl) 4-azidobenzoate

Class

Small Molecule

Description

(2,5-dioxopyrrolidin-1-yl) 4-azidobenzoate is an organic compound with the formula C11H8N4O4 and an average molecular weight of 260.21 g/mol. (2,5-dioxopyrrolidin-1-yl) 4-azidobenzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid substance has been found in or released from two recorded sources: electrical and electronic equipment, specifically antennas and discharge lamps.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₁H₈N₄O₄

Average Molecular Mass

260.210 g/mol

Monoisotopic Mass

260.055 g/mol

CAS Registry Number

53053-08-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C11H8N4O4/c12-14-13-8-3-1-7(2-4-8)11(18)19-15-9(16)5-6-10(15)17/h1-4H,5-6H2

InChI Key

LWAVGNJLLQSNNN-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-002b-9610000000-b7fd55b96aea10c25057	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

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
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	Not Available
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	Not Available
CEDs000514	Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.	Electrical & Electronic Equipment	Not Available
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	Not Available
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	Not Available
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	Not Available
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	Not Available
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	Not Available
CEDs000691	Non Oxide Glass?Non-oxide glass refers to a category of glasses primarily composed of materials other than silicon dioxide, such as boron oxide or phosphorous oxide.	Building & Construction	Not Available
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	Not Available
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	Not Available
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	Not Available
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.349 Statistical Significance 0.1895 Supporting Reference Compounds 472 E-value 1475.01
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.349 Statistical Significance 0.1583 Supporting Reference Compounds 407 E-value 1232.35
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.349 Statistical Significance 0.1566 Supporting Reference Compounds 372 E-value 1219.12
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.239 Low confidence Statistical Significance 0.2966 Supporting Reference Compounds 242 E-value 2309.32
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.239 Low confidence Statistical Significance 0.3629 Supporting Reference Compounds 332 E-value 2824.91
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.239 Low confidence Statistical Significance 0.2246 Supporting Reference Compounds 172 E-value 1748.42
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.349 Statistical Significance 0.1967 Supporting Reference Compounds 157 E-value 1531.61
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.217 Low confidence Statistical Significance 0.4326 Supporting Reference Compounds 296 E-value 3368.07
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.349 Statistical Significance 0.2487 Supporting Reference Compounds 165 E-value 1936.42
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 3	Q8K424	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.203 Low confidence Statistical Significance 0.0483 Supporting Reference Compounds 1 E-value 376.401
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.218 Low confidence Statistical Significance 0.3493 Supporting Reference Compounds 114 E-value 2719.12
Click to view 3D structure	26S proteasome non-ATPase regulatory subunit 10	O75832	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0172 Supporting Reference Compounds 1 E-value 133.589
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.226 Low confidence Statistical Significance 0.3253 Supporting Reference Compounds 203 E-value 2532.28
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.221 Low confidence Statistical Significance 0.4876 Supporting Reference Compounds 226 E-value 3796.32
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.221 Low confidence Statistical Significance 0.4885 Supporting Reference Compounds 227 E-value 3803.32
Click to view 3D structure	Histamine H3 receptor	Q9Y5N1	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.203 Low confidence Statistical Significance 0.6021 Supporting Reference Compounds 294 E-value 4687.54
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.226 Low confidence Statistical Significance 0.77 Supporting Reference Compounds 562 E-value 5994.23
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.217 Low confidence Statistical Significance 0.8892 Supporting Reference Compounds 1022 E-value 6922.27
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.226 Low confidence Statistical Significance 0.7871 Supporting Reference Compounds 593 E-value 6127.67
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.226 Low confidence Statistical Significance 0.8064 Supporting Reference Compounds 506 E-value 6277.61
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.226 Low confidence Statistical Significance 0.9571 Supporting Reference Compounds 1498 E-value 7450.87
Click to view 3D structure	Ubiquitin-conjugating enzyme E2 D3	P61077	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 1 E-value 17.8275
Click to view 3D structure	Histamine H3 receptor	Q9QYN8	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.203 Low confidence Statistical Significance 0.2981 Supporting Reference Compounds 80 E-value 2320.76
Click to view 3D structure	Cyclic nucleotide-gated channel alpha-1	Q00194	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.203 Low confidence Statistical Significance 0.0176 Supporting Reference Compounds 2 E-value 137.404
Click to view 3D structure	Coagulation factor XII	P00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.236 Low confidence Statistical Significance 0.341 Supporting Reference Compounds 73 E-value 2654.5