<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3916</id>
  <title>T3D3861</title>
  <common-name>Imazamox</common-name>
  <description>Imazamox is an exogenous organic compound with the formula C15H19N3O4 and an average molecular weight of 305.33 g/mol. It exists as a solid at room temperature. Imazamox belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds.

Industrial applications of the compound include its use as a biocide. It has been recorded as being released from building and construction floors. In terms of biological activity, imazamox has three recorded protein targets: the bile acid receptor (NR1H4), nuclear receptor subfamily 1 group I member 2 (NR1I2), and interstitial collagenase (MMP1).</description>
  <cas>114311-32-9</cas>
  <pubchem-id>86137</pubchem-id>
  <chemical-formula>C15H19N3O4</chemical-formula>
  <weight>305.33</weight>
  <appearance>White powder.</appearance>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:52Z</created-at>
  <updated-at type="dateTime">2026-08-19T11:14:40Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18598</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>COCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O</moldb-smiles>
  <moldb-formula>C15H19N3O4</moldb-formula>
  <moldb-inchi>InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)</moldb-inchi>
  <moldb-inchikey>NUPJIGQFXCQJBK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">305.3291</moldb-average-mass>
  <moldb-mono-mass type="decimal">305.137556111</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>0.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1881028</chembl-id>
  <chemspider-id>77711</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002822</chemdb-id>
  <dsstox-id>DTXSID3034664</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000438</susdat-id>
  <iupac>5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid</iupac>
  <moldb-polar-surface-area>100.88</moldb-polar-surface-area>
  <moldb-refractivity>79.5942</moldb-refractivity>
  <moldb-polarizability>32.01452798411724</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>6</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.6406816084662013</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>1.5148103256979901</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>1.21</moldb-alogps-logp>
  <moldb-alogps-logs>-3.14</moldb-alogps-logs>
  <moldb-alogps-solubility>2.22e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">388</paper-count>
  <sync-id>CED0012164</sync-id>
  <structure-inchikey>NUPJIGQFXCQJBK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40200000000000000000800000000400100002000000000000000000000000000000001000000020104000000000002004000000000000000080000000000000000000001000000000000000000000000020000000020100004000000040000000000000010000000040000000100400000000004000000000000000000400000000010048000000000000200000000000000000000000000000000000000020010000200000000100000002080000020000000000080000000000000000000100200000000000000000000000000020000000000000000000000020000000000000000000000000000140000000000400000000000000000100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`������@(������@h�������@(������@(�������(�������(������� ������`�������`�������`�������`�������(�������(�������h�������@(������@h��������(�������h��������(�����������������h���h���h��� ��(��	�	
�	�������	����(��� ��h���h��� �� ��(���h��� B����������������	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:00:58Z</structure-indexed-at>
</compound>
