(R)-Imazaquin (CED0174797)

Record Information

Version

1.0

Creation Date

2026-04-06 04:17:18 UTC

Update Date

2026-04-06 04:17:18 UTC

Accession Number

CHEM117455

Identification

Common Name

(R)-Imazaquin

Class

Small Molecule

Description

(R)-Imazaquin is an organoheterocyclic compound with the formula C17H17N3O3 and an average molecular weight of 311.34 g/mol. (R)-Imazaquin belongs to the quinoline carboxylic acids, a subclass of quinolines and derivatives within the organic compounds. This substance has been recorded as being found in or released from building and construction floors.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₇H₁₇N₃O₃

Average Molecular Mass

311.341 g/mol

Monoisotopic Mass

311.127 g/mol

CAS Registry Number

246176-07-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)[C@@]1(C)N=C(NC1=O)C1=NC2=C(C=CC=C2)C=C1C(O)=O

InChI Identifier

InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1

InChI Key

CABMTIJINOIHOD-QGZVFWFLSA-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00kg-2190000000-23f31c3040e47457acb5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0069000000-cb72b3d889357c5b7806	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0g4i-0090000000-a8f727ad7b1b4b59f409	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00xr-9300000000-d55e77447287b73c5904	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02t9-0095000000-957a57c14074b51cd284	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0191000000-4f1474563485b2837fc2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00gl-8970000000-8dcfb6fb1d1c2e37399a	Not Available	View Spectrum

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
2034.0	Log mg/kg	[1100:3600]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
497	Floors	Building & Construction	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	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	Dickkopf-related protein 1	O54908	Mus musculus	Predicted (SEA)	0.311397
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	302.366
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	151.728
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	73.334
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	159.669
Click to view 3D structure	Heterogeneous nuclear ribonucleoprotein A1	P09651	Humans	Predicted (SEA)	1.47914
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	399.444
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	477.06
Click to view 3D structure	Cysteinyl leukotriene receptor 1	Q2NNR5	Cavia porcellus	Predicted (SEA)	22.1092
Click to view 3D structure	Transcription factor Dp-2	Q14188	Humans	Predicted (SEA)	9.10836
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	92.952
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	770.007
Click to view 3D structure	Substance-K receptor	P21452	Humans	Predicted (SEA)	429.961
Click to view 3D structure	Neuromedin-K receptor	P29371	Humans	Predicted (SEA)	333.506
Click to view 3D structure	Acetolactate synthase	J7HAW4	Raphanus raphanistrum	Predicted (SEA)	0.311397
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	427.548
Click to view 3D structure	Low-density lipoprotein receptor-related protein 6	O75581	Humans	Predicted (SEA)	1.86838
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P12527	Rattus norvegicus	Predicted (SEA)	158.89
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	320.35
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	2387.01
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	2396.59
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	4293.54
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	2420.57
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	2472.96
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 5	Q9Y4K4	Humans	Predicted (SEA)	2048.14