N-[1-[(2r,3r,4r,5r)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide (CED0072898)

Record Information
Version1.0
Creation Date2026-08-22 14:12:04 UTC
Update Date2026-08-22 14:12:04 UTC
Accession NumberCHEM216312
Identification
Common NameN-[1-[(2r,3r,4r,5r)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
ClassSmall Molecule
Description
N-[1-[(2r,3r,4r,5r)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide belongs to the triphenyl compounds, a class of benzenoids within the organic compounds. With an average molecular weight of 721.80 g/mol, N-[1-[(2r,3r,4r,5r)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide is a heavy molecule. It has the chemical formula C41H43N3O9. This compound has been found in or released from one recorded source: Electrical & Electronic Equipment (X Ray Tubes).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC41H43N3O9
Average Molecular Mass721.800 g/mol
Monoisotopic Mass721.300 g/mol
CAS Registry Number182496-01-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11-7-5-8-12-28)39-36(51-24-23-48-2)35(45)34(53-39)26-52-41(29-13-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,35-,36-,39-/m1/s1
InChI KeyBYSCLUAIKFEFAH-LZURGKRNSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2799.0Log mg/kg[1600:5000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
540X Ray TubesElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)954.354
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)487.492
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)37.5233
Click to view 3D structure5-hydroxymethyl-dUMP N-hydrolaseO35820Rattus norvegicusPredicted (SEA)46.0867
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)1083.89
5'-nucleotidase structureClick to view 3D structure5'-nucleotidaseP21589HumansPredicted (SEA)52.3147
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)820.842
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)678.534
Click to view 3D structure6-phosphogluconate dehydrogenase, decarboxylatingP85968Rattus norvegicusPredicted (SEA)34.2537
Click to view 3D structure4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT6P51993HumansPredicted (SEA)31.7625
Click to view 3D structureThymidine kinase 2, mitochondrialO00142HumansPredicted (SEA)5.13805
Click to view 3D structure2-dehydropantoate 2-reductaseP0A9J4Escherichia coli K-12Predicted (SEA)31.9182
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)1599.65
Click to view 3D structureSnake venom metalloproteinase neuwiedaseQ9I9R4Bothrops pauloensisPredicted (SEA)83.8436
Galectin-3 structureClick to view 3D structureGalectin-3P17931HumansPredicted (SEA)25.6124
Click to view 3D structurePyochelin synthase PchDQ9HWG3Pseudomonas aeruginosaPredicted (SEA)52.0811
Click to view 3D structureDeoxynucleoside kinaseQ9XZT6Drosophila melanogasterPredicted (SEA)3.89246
Click to view 3D structureSalicyl-AMP ligase / salicyl-S-ArCP synthetaseP71716Mycobacterium tuberculosisPredicted (SEA)51.6919
Click to view 3D structureP2Y purinoceptor 14Q15391HumansPredicted (SEA)247.249
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)1634.37
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)1637.09
Click to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)1208.53
Galectin-9 structureClick to view 3D structureGalectin-9O00182HumansPredicted (SEA)23.0434
Click to view 3D structure5'-nucleotidaseP21588Rattus norvegicusPredicted (SEA)68.8966
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)175.005
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available