Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]- (CED0137951)

Record Information

Version

1.0

Creation Date

2026-04-03 16:59:36 UTC

Update Date

2026-08-20 04:55:07 UTC

Accession Number

CHEM066434

Identification

Common Name

Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-

Class

Small Molecule

Description

Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]- is an organic compound with the formula C20H16N6O and an average molecular weight of 356.39 g/mol. Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]- belongs to the linear diarylheptanoids, a subclass of diarylheptanoids within the organic compounds. This substance is associated with two recorded sources: superconducting magnets and superconducting coils, as well as gas filled discharge tubes with solid cathode, both found in electrical and electronic equipment.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₁₆N₆O₁

Average Molecular Mass

356.389 g/mol

Monoisotopic Mass

356.139 g/mol

CAS Registry Number

20237-98-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[N-]=[N+]=NC1=CC=C(C=C2CCCC(=CC3=CC=C(C=C3)N=[N+]=[N-])C2=O)C=C1

InChI Identifier

InChI=1S/C20H16N6O/c21-25-23-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)27)13-15-6-10-19(11-7-15)24-26-22/h4-13H,1-3H2/b16-12+,17-13+

InChI Key

UZNOMHUYXSAUPB-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
1096.0	Log mg/kg	[620:1900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	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	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	4565.78
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1803.14
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	4006.74
Click to view 3D structure	RAC-beta serine/threonine-protein kinase	P31751	Humans	Predicted (SEA)	3508.43
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	1377.54
Click to view 3D structure	11-beta-hydroxysteroid dehydrogenase 1	P16232	Rattus norvegicus	Predicted (SEA)	50.6798
Click to view 3D structure	11-beta-hydroxysteroid dehydrogenase 1	P28845	Humans	Predicted (SEA)	238.53
Click to view 3D structure	Cytochrome P450 11B2, mitochondrial	P19099	Humans	Predicted (SEA)	308.127
Click to view 3D structure	Fibroblast growth factor 23	Q9GZV9	Humans	Predicted (SEA)	2.95827
Click to view 3D structure	Nucleotide-binding oligomerization domain-containing protein 2	Q9HC29	Humans	Predicted (SEA)	925.861
Click to view 3D structure	Macrophage migration inhibitory factor	P14174	Humans	Predicted (SEA)	133.356
Click to view 3D structure	Chorismate synthase	P0A2Y6	Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)	Predicted (SEA)	11.9888
Click to view 3D structure	Dual specificity protein phosphatase	Q7T2L8	Danio rerio	Predicted (SEA)	36.1999
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	914.106
Click to view 3D structure	Tissue factor	P13726	Humans	Predicted (SEA)	43.4399
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	512.793
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 2	Q92630	Humans	Predicted (SEA)	690.678
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	1646.74
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	4116.74
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	1347.88
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	1666.28
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Q9Y463	Humans	Predicted (SEA)	2061.68
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	3426.3
Click to view 3D structure	Dual specificity protein kinase CLK1	P49759	Humans	Predicted (SEA)	1409.38
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	5221.81