Consensus flow list

Identity

Type
NeutralMolecule
CAS
141112-29-0
EC
604-222-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Isoxaflutole

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
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

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OYIKARCXOQLFHF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name (5-cyclopropyl-1,2-oxazol-4-yl)(alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl)methanone
Molecular formula chemrof:molecular_formula C15H12F3NO4S
Molecular mass chemrof:molecular_mass 359.325
Monoisotopic mass chemrof:monoisotopic_mass 359.04391, 359.043914
SMILES string chemrof:smiles_string CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1

Known URLs

27

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:IND44260626 enrich_references.chebi_xrefs
agr agr:IND601309029 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=141112-29-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:141213 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.114.433 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5034723 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB12938 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB12938 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1887147 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0T9R0O0EYT enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253710 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J794.343A enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=153825 enrich_references.pubchem_identifier_url
patent patent:EP527036 enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1887147 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/84098 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10858299 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11455644 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12236689 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12502399 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15092948 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19333913 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22677522 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29170513 enrich_references.chebi_xrefs
reaxys reaxys:8344543 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q15632908 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Isoxaflutole enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
64b1f551-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d1f-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9f9cebfc-5ae7-46e0-bf69-991df815d55e Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d1e-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9d20-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d1d-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d1b-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d24-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5ff0e23decbbe469863135c708ce710b791f36ab Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9d1c-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d22-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9d25-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d21-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d23-0050c2490048 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-b307eb6fd5c3f697",
  "prefLabel": [
    {
      "@value": "Isoxaflutole",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
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      }
    },
    {
      "@value": "(5-cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone",
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      }
    },
    {
      "@value": "(5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone",
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    },
    {
      "@value": "(5-cyclopropylisoxazol-4-yl)(alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl)methanone",
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    {
      "@value": "5-cyclopropyl-1,2-oxazol-4-yl alpha,alpha,alpha-trifluoro-2-mesyl-p-tolyl ketone",
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    },
    {
      "@value": "Balance (herbicide)",
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      "@value": "ForDor WG 75",
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