Consensus flow list

Identity

Type
NeutralMolecule
CAS
81335-37-7
EC
617-220-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Imazaquin

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
herbicide CHEBI:24527 A substance used to destroy plant pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CABMTIJINOIHOD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string 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)
IUPAC name chemrof:IUPAC_name (RS)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid
Molecular formula chemrof:molecular_formula C17H17N3O3
Molecular mass chemrof:molecular_mass 311.341
Monoisotopic mass chemrof:monoisotopic_mass 311.12699, 311.126991
SMILES string chemrof:smiles_string CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O

Known URLs

29

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
agr agr:IND601311607 enrich_references.chebi_xrefs
agr agr:IND605415641 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=81335-37-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:147361 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5869 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.120.551 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3024152 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB04582 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1447880 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8LZY7C31XA enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J364.773K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C05076 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C05076 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67769 enrich_references.pubchem_identifier_url
pesticides pesticides:imazaquin enrich_references.chebi_xrefs
ppdb ppdb:394 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/54739 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=179823 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16407096 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21570088 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24267339 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25354440 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26616105 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26969061 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30537433 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3185508 enrich_references.chebi_xrefs
reaxys reaxys:5450078 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q15303948 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Imazaquin enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
3e4dc5a5-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a608-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
94fdd660-71a8-48ac-a3dd-b21017320a46 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a607-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a609-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a606-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a604-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a60d-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
7e2956e3227a8f78e233138b26787cbead46707f Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a605-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a60b-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8e16-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a60a-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-a60c-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f178d0ee69aea65b",
  "prefLabel": [
    {
      "@value": "Imazaquin",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
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        ],
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      }
    },
    {
      "@value": "(RS)-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(RS)-imazaquin",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(±)-Imazaquin",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid",
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      "@value": "2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-quinoline-3-carboxylic acid",
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    },
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      "@value": "2-[(RS)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]quinoline-3-carboxylic acid",
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    },
    {
      "@value": "2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-quinolinecarboxylic acid",
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    },
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      "@value": "3-Quinolinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-",
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    },
    {
      "@value": "Image",
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    },
    {
      "@value": "Image (pesticide)",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "imazaquine",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "rac-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "rac-imazaquin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "racemic imazaquin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Scepter",
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      }
    },
    {
      "@value": "Toneup",
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  ],
  "properties": {
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