[(1r,5s)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate (CED0260830)

Record Information

Version

1.0

Creation Date

2026-08-29 04:32:04 UTC

Update Date

2026-08-29 04:32:04 UTC

Accession Number

CHEM305738

Identification

Common Name

[(1r,5s)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate

Class

Small Molecule

Description

[(1r,5s)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate is a chemical compound with the formula C17H32NO2+ and an average molecular weight of 282.40 g/mol. This substance has been found in or released from four recorded sources, specifically within Electrical & Electronic Equipment, including magnets, thin magnetic films, auxiliary devices, and cores yokes or armatures.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₇H₃₂NO₂+

Average Molecular Mass

Not Available

Monoisotopic Mass

282.243 g/mol

CAS Registry Number

70642-90-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C

InChI Identifier

InChI=1S/C17H32NO2/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4/h13-16H,5-12H2,1-4H3/q+1/t14-,15+,16?

InChI Key

XGGHHHBGPSNXFE-XYPWUTKMSA-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
1092.0	Log mg/kg	[610:1900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	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	Muscarinic receptor 4	Q8VH25	Cavia porcellus	Predicted (SEA)	0.622794
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	113.66
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	64.3813
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	96.4552
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	76.4479
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	7.23998
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	81.8195
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	33.2416
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	26.4687
Click to view 3D structure	Muscarinic acetylcholine receptor M3	Q8VH26	Cavia porcellus	Predicted (SEA)	26.7801
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	25.2231
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	229.032
Click to view 3D structure	Muscarinic acetylcholine receptor M1	Q8WMX0	Bos taurus	Predicted (SEA)	85.0892
Click to view 3D structure	Acetylcholine-binding protein	P58154	Lymnaea stagnalis	Predicted (SEA)	163.95
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	5199.94
Click to view 3D structure	Synaptic vesicle glycoprotein 2A	Q02563	Rattus norvegicus	Predicted (SEA)	5.0602
Click to view 3D structure	Muscarinic acetylcholine receptor DM1	P16395	Drosophila melanogaster	Predicted (SEA)	41.8829
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	3592.98
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P49582	Mus musculus	Predicted (SEA)	104.629
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08911	Rattus norvegicus	Predicted (SEA)	509.912
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	2244.78
Click to view 3D structure	Peptide deformylase 1A, chloroplastic/mitochondrial	Q9FV53	Arabidopsis thaliana	Predicted (SEA)	63.0579
Click to view 3D structure	Cathepsin K	P43235	Humans	Predicted (SEA)	2466.73
Click to view 3D structure	Cathepsin S	P25774	Humans	Predicted (SEA)	2816.35
Click to view 3D structure	Glutathione S-transferase theta-1	Q01579	Rattus norvegicus	Predicted (SEA)	114.905