(1,4-Benzodioxan-2-ylmethyl)guanidinium sulphate (CED0081022)

Record Information
Version1.0
Creation Date2026-04-05 19:25:37 UTC
Update Date2026-04-05 19:25:37 UTC
Accession NumberCHEM107017
Identification
Common Name(1,4-Benzodioxan-2-ylmethyl)guanidinium sulphate
ClassSmall Molecule
Description
(1,4-Benzodioxan-2-ylmethyl)guanidinium sulphate belongs to the benzo-1,4-dioxanes, a subclass of benzodioxanes within the organic compounds. It is classified as an organoheterocyclic compound with the chemical formula C20H28N6O8S.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H28N6O8S
Average Molecular MassNot Available
Monoisotopic Mass512.169 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/2C10H13N3O2.H2O4S/c2*11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7;1-5(2,3)4/h2*1-4,7H,5-6H2,(H4,11,12,13);(H2,1,2,3,4)
InChI KeyNSGHAKPGHCNTPS-UHFFFAOYSA-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 ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)179.053
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)86.1791
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)166.13
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)58.9319
Click to view 3D structureAlpha-1B adrenergic receptorP35368HumansPredicted (SEA)67.4953
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)197.971
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 structureClick to view 3D structureAminoacyl tRNA synthase complex-interacting multifunctional protein 2Q13155HumansPredicted (SEA)0.155698
Click to view 3D structure5-hydroxytryptamine receptor 1BP79399Sus scrofaPredicted (SEA)5.44945
Click to view 3D structureAlpha-1A adrenergic receptorP43140Rattus norvegicusPredicted (SEA)135.769
Click to view 3D structureAlpha-1B adrenergic receptorP15823Rattus norvegicusPredicted (SEA)74.4239
Click to view 3D structureAlpha-1D adrenergic receptorP23944Rattus norvegicusPredicted (SEA)57.1413
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)205.211
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)308.672
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)232.613
Click to view 3D structureAlpha-2A adrenergic receptorP22909Rattus norvegicusPredicted (SEA)59.2433
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)402.87
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)332.416
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)312.487
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)112.648
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)149.782
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)124.87
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)871.678
Voltage-dependent T-type calcium channel subunit alpha-1H structureClick to view 3D structureVoltage-dependent T-type calcium channel subunit alpha-1HO95180HumansPredicted (SEA)60.8781
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)1646.28
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)763.934
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available