1-(2-chloroethyl)-1-nitroso-3-[(2s,3s,4r,5r)-2,3,4,5-tetrahydroxycyclopentyl]urea (CED0313260)

Record Information
Version1.0
Creation Date2026-09-01 12:44:06 UTC
Update Date2026-09-01 12:44:06 UTC
Accession NumberCHEM359113
Identification
Common Name1-(2-chloroethyl)-1-nitroso-3-[(2s,3s,4r,5r)-2,3,4,5-tetrahydroxycyclopentyl]urea
ClassSmall Molecule
Description
1-(2-chloroethyl)-1-nitroso-3-[(2s,3s,4r,5r)-2,3,4,5-tetrahydroxycyclopentyl]urea is a compound with the formula C8H14ClN3O6. It has an average molecular weight of 283.66 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H14ClN3O6
Average Molecular MassNot Available
Monoisotopic Mass283.057 g/mol
CAS Registry Number64218-24-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESC(CCl)N(C(=O)NC1C(C(C(C1O)O)O)O)N=O
InChI IdentifierInChI=1S/C8H14ClN3O6/c9-1-2-12(11-18)8(17)10-3-4(13)6(15)7(16)5(3)14/h3-7,13-16H,1-2H2,(H,10,17)/t3?,4-,5+,6-,7+
InChI KeyGTYNDEHFHVQCHI-JMTYFUNVSA-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
2010.0Log mg/kg[1100:3600]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAlpha-galactosidase AD3ZJF9Rattus norvegicusPredicted (SEA)7.86277
Tissue alpha-L-fucosidase structureClick to view 3D structureTissue alpha-L-fucosidaseP04066HumansPredicted (SEA)31.9182
Galectin-7 structureClick to view 3D structureGalectin-7P47929HumansPredicted (SEA)499.169
Click to view 3D structureEnvelope proteinQ78116Human immunodeficiency virus 1Predicted (SEA)1534.02
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)7315.26
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)7482.94
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)7232.5
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)7350.83
Maltase-glucoamylase structureClick to view 3D structureMaltase-glucoamylaseO43451HumansPredicted (SEA)832.442
Oligo-1,6-glucosidase IMA1 structureClick to view 3D structureOligo-1,6-glucosidase IMA1P53051Saccharomyces cerevisiae S288cPredicted (SEA)621.47
Asialoglycoprotein receptor 1 structureClick to view 3D structureAsialoglycoprotein receptor 1P07306HumansPredicted (SEA)11.6774
Beta-hexosaminidase structureClick to view 3D structureBeta-hexosaminidaseQ9HZK0Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)9.57545
Click to view 3D structureLarge neutral amino acids transporter small subunit 1Q63016Rattus norvegicusPredicted (SEA)166.208
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)27.2472
CD44 antigen structureClick to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)27.2472
N-acetylglucosamine-6-phosphate deacetylase structureClick to view 3D structureN-acetylglucosamine-6-phosphate deacetylaseQ9Y303HumansPredicted (SEA)22.2649
Click to view 3D structure3-ketoacyl-CoA synthase 20Q9FG87Arabidopsis thalianaPredicted (SEA)3.50322
Click to view 3D structureNeuraminidaseB4URF0Influenza A virusPredicted (SEA)1837.86
Neuraminidase structureClick to view 3D structureNeuraminidaseP03474Influenza B virus (strain B/Lee/1940)Predicted (SEA)411.745
Beta-lactamase VIM-1 structureClick to view 3D structureBeta-lactamase VIM-1Q9XAY4Pseudomonas aeruginosaPredicted (SEA)13.4679
Neuraminidase structureClick to view 3D structureNeuraminidaseP03468Influenza A virus (A/Puerto Rico/8/1934(H1N1))Predicted (SEA)2095.39
Neuraminidase structureClick to view 3D structureNeuraminidaseQ3S340Influenza B virusPredicted (SEA)13.1565
Click to view 3D structureOrganic anion transporter 3O88909Mus musculusPredicted (SEA)599.05
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 structureClick to view 3D structureInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2O43314HumansPredicted (SEA)29.2713
Click to view 3D structureNeutral alpha-glucosidase CQ8TET4HumansPredicted (SEA)7.86277
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available