(2r,4s)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CED0113135)

Record Information

Version

1.0

Creation Date

2026-08-18 15:57:17 UTC

Update Date

2026-08-18 15:57:17 UTC

SynCED ID

CED0113135

Secondary Accession Numbers

CHEM163149

Identification

Common Name

(2r,4s)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

Class

Small Molecule

Description

(2r,4s)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione belongs to the imidazolidines, a subclass of azolidines within the organic compounds. This organoheterocyclic compound has the chemical formula C12H11FN2O3 and an average molecular weight of 250.23 g/mol. It has been identified in or released from one recorded source: Electrical & Electronic Equipment (Radio Transmission Systems).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₁FN₂O₃

Average Molecular Mass

250.230 g/mol

Monoisotopic Mass

250.075 g/mol

CAS Registry Number

102916-95-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C12H11FN2O3/c1-6-5-12(10(16)14-11(17)15-12)8-4-7(13)2-3-9(8)18-6/h2-4,6H,5H2,1H3,(H2,14,15,16,17)/t6-,12+/m1/s1

InChI Key

SEAQTHCVAGBRFY-INWYIAFRSA-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

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1420.0 Log mg/kg [800:2500]	Rat	LD50	oral	predicted	Not Available	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

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	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
CEDs000686	Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.	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	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.284 Low confidence Statistical Significance 0.4529 Supporting Reference Compounds 1022 E-value 3526.1
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.284 Low confidence Statistical Significance 0.4379 Supporting Reference Compounds 869 E-value 3408.94
Click to view 3D structure	ALK tyrosine kinase receptor	Q9UM73	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.284 Low confidence Statistical Significance 0.4198 Supporting Reference Compounds 708 E-value 3268.34
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.243 Low confidence Statistical Significance 0.5338 Supporting Reference Compounds 955 E-value 4155.59
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.243 Low confidence Statistical Significance 0.524 Supporting Reference Compounds 823 E-value 4078.99
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.247 Low confidence Statistical Significance 0.814 Supporting Reference Compounds 1498 E-value 6336.62
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase ROS	P08922	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.284 Low confidence Statistical Significance 0.4628 Supporting Reference Compounds 430 E-value 3602.55
Click to view 3D structure	Leucine--tRNA ligase, cytoplasmic	P26637	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 5.10e-04 Supporting Reference Compounds 1 E-value 3.97031
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.25 Low confidence Statistical Significance 0.647 Supporting Reference Compounds 961 E-value 5037.08
Click to view 3D structure	Tyrosine-protein kinase JAK1	P23458	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.25 Low confidence Statistical Significance 0.4239 Supporting Reference Compounds 368 E-value 3299.87
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.243 Low confidence Statistical Significance 0.5838 Supporting Reference Compounds 953 E-value 4544.68
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.344 Statistical Significance 0.0825 Supporting Reference Compounds 84 E-value 642.1
Click to view 3D structure	5-hydroxytryptamine receptor 1D	P28221	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.243 Low confidence Statistical Significance 0.3914 Supporting Reference Compounds 365 E-value 3046.94
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P07943	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.344 Statistical Significance 0.0555 Supporting Reference Compounds 70 E-value 432.375
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.243 Low confidence Statistical Significance 0.4815 Supporting Reference Compounds 565 E-value 3748.75
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.224 Low confidence Statistical Significance 0.6446 Supporting Reference Compounds 1103 E-value 5018.24
Click to view 3D structure	Aldo-keto reductase family 1 member A1	P14550	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.344 Statistical Significance 0.0022 Supporting Reference Compounds 11 E-value 16.9711
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.224 Low confidence Statistical Significance 0.3645 Supporting Reference Compounds 386 E-value 2837.84
Click to view 3D structure	BDNF/NT-3 growth factors receptor	Q16620	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.284 Low confidence Statistical Significance 0.6555 Supporting Reference Compounds 721 E-value 5103.09
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.284 Low confidence Statistical Significance 0.8548 Supporting Reference Compounds 1245 E-value 6654.71
Click to view 3D structure	Beta-secretase 1	P56817	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.254 Low confidence Statistical Significance 0.2385 Supporting Reference Compounds 163 E-value 1856.47
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.224 Low confidence Statistical Significance 0.5044 Supporting Reference Compounds 487 E-value 3926.56
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.244 Low confidence Statistical Significance 0.8373 Supporting Reference Compounds 1130 E-value 6518.39
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.243 Low confidence Statistical Significance 0.6379 Supporting Reference Compounds 686 E-value 4966.16
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.224 Low confidence Statistical Significance 0.5457 Supporting Reference Compounds 507 E-value 4248.39