2-[3-(2-hydroxyethyl)-2,4,6-trioxo-5-(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate (CED0248689)

Record Information

Version

1.0

Creation Date

2026-08-28 13:32:19 UTC

Update Date

2026-08-28 13:32:19 UTC

Accession Number

CHEM293198

Identification

Common Name

2-[3-(2-hydroxyethyl)-2,4,6-trioxo-5-(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate

Class

Small Molecule

Description

2-[3-(2-hydroxyethyl)-2,4,6-trioxo-5-(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate belongs to the triazinones, a subclass of triazines within the organic compounds. This organoheterocyclic compound has the formula C15H19N3O8 and an average molecular weight of 369.33 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₁₉N₃O₈

Average Molecular Mass

Not Available

Monoisotopic Mass

369.117 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C=CC(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)C=C)CCO

InChI Identifier

InChI=1S/C15H19N3O8/c1-3-11(20)25-9-6-17-13(22)16(5-8-19)14(23)18(15(17)24)7-10-26-12(21)4-2/h3-4,19H,1-2,5-10H2

InChI Key

FFRFCPIQGCSXHI-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
8985.0	Log mg/kg	[5100:16000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
615	Eye Makeup Products	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
685	Ceramics	Building & Construction	Not Available
688	Glass Coatings	Building & Construction	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available
727	Printing Machines Or Presses	Paper, pulp & fiber products	Not Available

Pathways

0 pathways

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	Transcriptional enhancer factor TEF-5	Q99594	Humans	Predicted (SEA)	121.211
Click to view 3D structure	Succinate-semialdehyde dehydrogenase, mitochondrial	P51649	Humans	Predicted (SEA)	38.7689
Click to view 3D structure	Uracil-DNA glycosylase	P13051	Humans	Predicted (SEA)	153.129
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	4658.03
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	3885.38
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	2691.95
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	3102.99
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	2498.1
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	2982.17
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	6547.98
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	3241.95
Click to view 3D structure	Adenosine receptor A2b	P29275	Humans	Predicted (SEA)	4507.7
Click to view 3D structure	Adenosine receptor A2a	P46616	Cavia porcellus	Predicted (SEA)	317.703
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	3881.56
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	2238.55
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	3855.33
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	5329.17
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	5919.03
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4	Q9Y237	Humans	Predicted (SEA)	180.688
Click to view 3D structure	Equilibrative nucleoside transporter 2	O54699	Rattus norvegicus	Predicted (SEA)	541.519
Click to view 3D structure	Adenosine receptor A1	P47745	Cavia porcellus	Predicted (SEA)	505.553
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	3276.52
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	1875.7
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	7017.64
Click to view 3D structure	17-beta-hydroxysteroid-dehydrogenase	O93874	Cochliobolus lunatus	Predicted (SEA)	78.7056