1-methoxy-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol (CED0313187)

Record Information

Version

1.0

Creation Date

2026-09-01 12:38:35 UTC

Update Date

2026-09-01 12:38:35 UTC

Accession Number

CHEM359038

Identification

Common Name

1-methoxy-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol

Class

Small Molecule

Description

1-methoxy-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol is a chemical compound with the formula C8H13N3O4 and an average molecular weight of 215.21 g/mol. This substance has been found in or released from 13 recorded sources. These sources include household cleaning and consumer products, specifically other smoking requisites, as well as electrical and electronic equipment. Within the category of electrical and electronic equipment, it is associated with antennas, amplifiers, auxiliary devices, coils, cores yokes or armatures, and seven additional items.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₃N₃O₄

Average Molecular Mass

Not Available

Monoisotopic Mass

215.091 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=NC(=CN1CC(COC)O)[N+](=O)[O-]

InChI Identifier

InChI=1S/C8H13N3O4/c1-6-9-8(11(13)14)4-10(6)3-7(12)5-15-2/h4,7,12H,3,5H2,1-2H3

InChI Key

JXMRDOOWRDWKJG-UHFFFAOYSA-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
1115.0	Log mg/kg	[630:2000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	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	Voltage-gated sodium channel Nav1.5 cardiac isoform	Q5YLN7	Canis lupus familiaris	Predicted (SEA)	70.6092
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	Q13936	Humans	Predicted (SEA)	258.927
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	1114.1
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	1789.52
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	4672.74
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	1350.53
Click to view 3D structure	Nitric oxide synthase 3	P70313	Mus musculus	Predicted (SEA)	50.3684
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	2545.83
Click to view 3D structure	Peroxisomal acyl-coenzyme A oxidase 1	P07872	Rattus norvegicus	Predicted (SEA)	197.426
Click to view 3D structure	Sentrin-specific protease 6	Q9GZR1	Humans	Predicted (SEA)	730.849
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	2161.41
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	2260.51
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	204.432
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	6400.76
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	5675.13
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	1669.55
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	6621.93
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	1182.06
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	4569.05
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q8BLA8	Mus musculus	Predicted (SEA)	49.5121
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	1615.84
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	2423.68
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	2427.34
Click to view 3D structure	Death-associated protein kinase 3	O43293	Humans	Predicted (SEA)	4865.03
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	O35505	Cavia porcellus	Predicted (SEA)	140.751