3-(18f)fluoranyl-2-[4-[(2-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol (CED0220672)

Record Information

Version

1.0

Creation Date

2026-08-25 08:46:59 UTC

Update Date

2026-08-25 08:46:59 UTC

SynCED ID

CED0220672

Secondary Accession Numbers

CHEM262327

Identification

Common Name

3-(18f)fluoranyl-2-[4-[(2-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol

Class

Small Molecule

Description

3-(18f)fluoranyl-2-[4-[(2-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol is an organic compound with the formula C9H11FN6O3 and an average molecular weight of 269.22 g/mol. 3-(18f)fluoranyl-2-[4-[(2-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol belongs to the organic nitro compounds, a subclass of allyl-type 1,3-dipolar organic compounds within the organic compounds. This substance has been found in or released from one recorded source: electrical and electronic equipment, specifically superconducting magnets and superconducting coils.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₁FN₆O₃

Average Molecular Mass

269.220 g/mol

Monoisotopic Mass

269.090 g/mol

CAS Registry Number

1070878-86-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H11FN6O3/c10-3-8(6-17)15-5-7(12-13-15)4-14-2-1-11-9(14)16(18)19/h1-2,5,8,17H,3-4,6H2/i10-1

InChI Key

ZSSPATINHRVRTN-LMANFOLPSA-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

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
Tumor Hypoxia	Associated With?	Not Available	Not Available	PMC4140448

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000535	Superconducting Magnets And Superconducting Coils?Superconducting magnets and coils are utilized in various applications that require strong magnetic fields, such as magnetic resonance imaging (MRI) and particle accelerators.	Electrical & Electronic Equipment	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem

Pathways

0 pathwaysPathway Source: PathBank

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 inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.315 Statistical Significance 0.8171 Supporting Reference Compounds 1498 E-value 6360.98
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 2B	Q00960	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.315 Statistical Significance 0.0248 Supporting Reference Compounds 36 E-value 193.377
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase 2	P08587	Cavia cutleri	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.222 Low confidence Statistical Significance 0.0082 Supporting Reference Compounds 2 E-value 63.8364
Click to view 3D structure	Nitric oxide synthase 3	P70313	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0149 Supporting Reference Compounds 1 E-value 115.762
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P19793	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.211 Low confidence Statistical Significance 0.1767 Supporting Reference Compounds 82 E-value 1375.36
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.211 Low confidence Statistical Significance 0.9336 Supporting Reference Compounds 825 E-value 7267.69
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.211 Low confidence Statistical Significance 0.9258 Supporting Reference Compounds 793 E-value 7207.36
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.232 Low confidence Statistical Significance 0.926 Supporting Reference Compounds 1022 E-value 7208.6
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.232 Low confidence Statistical Significance 0.9455 Supporting Reference Compounds 1301 E-value 7360.88
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.211 Low confidence Statistical Significance 0.9608 Supporting Reference Compounds 1130 E-value 7479.52
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 2A	Q12879	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.315 Statistical Significance 0.0256 Supporting Reference Compounds 16 E-value 199.138
Click to view 3D structure	Pyruvate decarboxylase	P06672	Zymomonas mobilis subsp. mobilis (strain ATCC 31821 / ZM4 / CP4)	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.185 Low confidence Statistical Significance 0.0061 Supporting Reference Compounds 1 E-value 47.7216
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.211 Low confidence Statistical Significance 0.9721 Supporting Reference Compounds 1245 E-value 7567.88
Click to view 3D structure	Glutamate receptor-interacting protein 1	P97879	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.183 Low confidence Statistical Significance 0.0039 Supporting Reference Compounds 1 E-value 30.1276
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.189 Low confidence Statistical Significance 0.7205 Supporting Reference Compounds 296 E-value 5608.73
Click to view 3D structure	Beta-1 adrenergic receptor	Q28998	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.198 Low confidence Statistical Significance 0.04 Supporting Reference Compounds 4 E-value 311.319
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase ROS	P08922	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.232 Low confidence Statistical Significance 0.891 Supporting Reference Compounds 430 E-value 6936.29
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 2D	O15399	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.315 Statistical Significance 0.0059 Supporting Reference Compounds 9 E-value 46.3203
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.21 Low confidence Statistical Significance 0.6808 Supporting Reference Compounds 205 E-value 5299.9
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.194 Low confidence Statistical Significance 0.5636 Supporting Reference Compounds 111 E-value 4387.35
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.203 Low confidence Statistical Significance 0.962 Supporting Reference Compounds 1157 E-value 7489.48
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.232 Low confidence Statistical Significance 0.9557 Supporting Reference Compounds 1274 E-value 7440.13
Click to view 3D structure	Cytochrome P450 2C8	P10632	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.211 Low confidence Statistical Significance 0.9096 Supporting Reference Compounds 305 E-value 7081.48
Click to view 3D structure	Vascular endothelial growth factor receptor 3	P35916	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.232 Low confidence Statistical Significance 0.937 Supporting Reference Compounds 687 E-value 7294.63
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.211 Low confidence Statistical Significance 0.9863 Supporting Reference Compounds 1538 E-value 7677.96