4H-1,3,5-Oxadiazin-4-one, tetrahydro-3,5-bis(methoxymethyl)- (CED0128045)

Record Information

Version

1.0

Creation Date

2026-04-04 13:32:44 UTC

Update Date

2026-08-23 21:06:24 UTC

SynCED ID

CED0128045

Secondary Accession Numbers

CHEM074861

Identification

Common Name

4H-1,3,5-Oxadiazin-4-one, tetrahydro-3,5-bis(methoxymethyl)-

Class

Small Molecule

Description

4H-1,3,5-Oxadiazin-4-one, tetrahydro-3,5-bis(methoxymethyl)- is an organic compound with the formula C7H14N2O4 and an average molecular weight of 190.20 g/mol. 4H-1,3,5-Oxadiazin-4-one, tetrahydro-3,5-bis(methoxymethyl)- belongs to the ureas, a subclass of organic carbonic acids and derivatives within the organic compounds. This substance has been identified as being found in or released from one recorded source: electrical and electronic equipment, specifically loudspeakers.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₄N₂O₄

Average Molecular Mass

190.199 g/mol

Monoisotopic Mass

190.095 g/mol

CAS Registry Number

7388-44-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COCN1COCN(COC)C1=O

InChI Identifier

InChI=1S/C7H14N2O4/c1-11-3-8-5-13-6-9(4-12-2)7(8)10/h3-6H2,1-2H3

InChI Key

LHZGEGQZBPULEQ-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
2448.0 Log mg/kg [1400:4400]	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
CEDs000526	Loudspeakers?Loudspeakers, as components in audio systems, can be sources of synthetic chemical contamination primarily due to the materials used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000638	Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.	Textiles, leather & furnishings	PubChem
CEDs000657	Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.	Textiles, leather & furnishings	PubChem
CEDs000659	Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.	Textiles, leather & furnishings	PubChem
CEDs000670	Solid Fire Fighting Substances?Solid fire fighting substances, such as certain types of dry chemical powders, are used in fire suppression applications to extinguish flames and prevent fire spread.	Fire suppression systems & agents	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	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	Acetyl-CoA carboxylase	Q3V4E6	Zea mays	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.196 Low confidence Statistical Significance 0.0086 Supporting Reference Compounds 1 E-value 66.7168
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform	Q76MZ3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 1.90e-04 Supporting Reference Compounds 1 E-value 1.47914
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.2 Low confidence Statistical Significance 0.7016 Supporting Reference Compounds 372 E-value 5462.21
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.2 Low confidence Statistical Significance 0.6107 Supporting Reference Compounds 242 E-value 4754.33
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.2 Low confidence Statistical Significance 0.6759 Supporting Reference Compounds 332 E-value 5261.91
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.2 Low confidence Statistical Significance 0.5045 Supporting Reference Compounds 172 E-value 3927.34
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.2 Low confidence Statistical Significance 0.3042 Supporting Reference Compounds 78 E-value 2367.94
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.2 Low confidence Statistical Significance 0.2373 Supporting Reference Compounds 70 E-value 1847.28
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.186 Low confidence Statistical Significance 0.9677 Supporting Reference Compounds 793 E-value 7533.31
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.186 Low confidence Statistical Significance 0.5259 Supporting Reference Compounds 157 E-value 4094.32
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.25 Low confidence Statistical Significance 0.8485 Supporting Reference Compounds 331 E-value 6605.27
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.2 Low confidence Statistical Significance 0.583 Supporting Reference Compounds 151 E-value 4538.77
Click to view 3D structure	Neutrophil elastase	P08246	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.25 Low confidence Statistical Significance 0.5599 Supporting Reference Compounds 81 E-value 4358.93
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.186 Low confidence Statistical Significance 0.6328 Supporting Reference Compounds 109 E-value 4926.45
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.186 Low confidence Statistical Significance 0.5056 Supporting Reference Compounds 98 E-value 3936.29
Click to view 3D structure	Cathepsin G	P08311	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.25 Low confidence Statistical Significance 0.4801 Supporting Reference Compounds 55 E-value 3737.62
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.2 Low confidence Statistical Significance 0.8173 Supporting Reference Compounds 407 E-value 6362.85
Click to view 3D structure	Bromodomain-containing protein 4	O60885	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.203 Low confidence Statistical Significance 0.8748 Supporting Reference Compounds 237 E-value 6810.02
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.175 Low confidence Statistical Significance 0.9395 Supporting Reference Compounds 565 E-value 7313.93
Click to view 3D structure	Serine/threonine-protein kinase/endoribonuclease IRE1	Q9EQY0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.172 Low confidence Statistical Significance 0.047 Supporting Reference Compounds 1 E-value 365.813
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.175 Low confidence Statistical Significance 0.9652 Supporting Reference Compounds 953 E-value 7514.4
Click to view 3D structure	Beta-lactamase SHV-55	Q4TVR4	Klebsiella pneumoniae	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.17 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 1 E-value 12.1445
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.173 Low confidence Statistical Significance 0.8913 Supporting Reference Compounds 528 E-value 6939.09
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.178 Low confidence Statistical Significance 0.926 Supporting Reference Compounds 406 E-value 7209.23
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.182 Low confidence Statistical Significance 0.987 Supporting Reference Compounds 1130 E-value 7683.41