(1r,2s,4r)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane (CED0108270)

Record Information
Version1.0
Creation Date2026-08-18 02:07:51 UTC
Update Date2026-08-18 02:07:51 UTC
Accession NumberCHEM148291
Identification
Common Name(1r,2s,4r)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane
ClassSmall Molecule
Description
(1r,2s,4r)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C10H17Cl and an average molecular weight of 172.69 g/mol. It is classified within the superclass of lipids and lipid-like molecules. Regarding its occurrence, the substance is found in or released from one recorded source: electrical and electronic equipment, specifically discharge tubes with liquid pool cathodes.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H17Cl
Average Molecular Mass172.690 g/mol
Monoisotopic Mass172.102 g/mol
CAS Registry Number464-41-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C10H17Cl/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
InChI KeyXXZAOMJCZBZKPV-WEDXCCLWSA-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
1341.0Log mg/kg[750:2400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
515Discharge Tubes With Liquid Pool CathodesElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePotassium-transporting ATPase alpha chain 2P54707HumansPredicted (SEA)16.7376
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)2137.19
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)108.755
E3 ubiquitin-protein ligase ZFP91 structureClick to view 3D structureE3 ubiquitin-protein ligase ZFP91Q96JP5HumansPredicted (SEA)37.6012
Neuronal acetylcholine receptor subunit alpha-7 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-7P36544HumansPredicted (SEA)4307.01
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)1656.4
Click to view 3D structureProgesterone receptorQ690N0Bos taurusPredicted (SEA)360.598
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)7621.36
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)5672.95
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)5765.75
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)2461.44
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7685.04
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)100.348
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)6480.71
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)6058.93
Click to view 3D structureGamma-aminobutyric acid receptor subunit alpha-4P28471Rattus norvegicusPredicted (SEA)25.7681
Click to view 3D structureSerine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoformQ76MZ3Mus musculusPredicted (SEA)7.55137
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)7714.7
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)7591.62
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)5973.6
Click to view 3D structureGlucose-6-phosphate 1-dehydrogenaseQ9GRG7Trypanosoma bruceiPredicted (SEA)52.0811
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)7605.25
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7646.04
Click to view 3D structureNuclear receptor subfamily 1 group I member 3O35627Mus musculusPredicted (SEA)35.4992
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7757.6
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available