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Ethaboxam

fo-176aa65f0919b34b

Identity

Type
Neutral molecule
CAS
162650-77-3
EC
—
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Ethaboxam

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
fungicide CHEBI:24127 A substance used to destroy fungal 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

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NQRFDNJEBWAUBL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H16N4OS2/c1-3-9-12(21-14(18-9)16-4-2)13(19)17-10(8-15)11-6-5-7-20-11/h5-7,10H,3-4H2,1-2H3,(H,16,18)(H,17,19)
IUPAC name chemrof:IUPAC_name (RS)-N-(alpha-cyano-2-thenyl)-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide
Molecular formula chemrof:molecular_formula C14H16N4OS2
Molecular mass chemrof:molecular_mass 320.443
Monoisotopic mass chemrof:monoisotopic_mass 320.076553
SMILES string chemrof:smiles_string CCNc1nc(CC)c(C(=O)NC(C#N)c2cccs2)s1

Known URLs

11

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=162650-77-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82856 enrich_references.chebi_id_link
patent patent:EP2255631 enrich_references.chebi_xrefs
patent patent:EP2255632 enrich_references.chebi_xrefs
patent patent:EP2255633 enrich_references.chebi_xrefs
patent patent:EP2255634 enrich_references.chebi_xrefs
pesticides pesticides:ethaboxam enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15481827 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15880616 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16438788 enrich_references.chebi_xrefs
reaxys reaxys:11322539 enrich_references.chebi_xrefs

Elementary flows

9
Flow Context Source Unit CFs
c712d8a8ca4d14af71991d00906cf61b155efa1a Environmental → Air → Long-term ecoinvent algorithm addition kg 0
568e5112185ef6d00a4ab1585a8f7fb6c3667aa9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
ca75a64a5720f19f9e969dead31b0dc74fc53344 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
a11415f5c405c34d35410e14b11da88e7bf20e2f Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
7db67eda189299e69203b93ddb67e3992221c991 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
70e34b33f6dca062d01e91fcc36bda58555a5366 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
bff5f3df790d6f745a7e76ba1cf92c3a61796286 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
445bc9dc6eb0ce4b10c255a3773d5a021a3839f2 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
ddfe6cd142e662adc252a5943cc3cb4ddfa93a8d Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-176aa65f0919b34b",
  "prefLabel": [
    {
      "@value": "Ethaboxam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(+-)-ethaboxam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12",
          "http://purl.obolibrary.org/obo/CHEBI_82856"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(RS)-ethaboxam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(RS)-N-(alpha-cyano-2-thenyl)-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:hadPrimarySource": [
          "ecoinvent-3.12",
          "http://purl.obolibrary.org/obo/CHEBI_82856"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(cyano-2-thienylmethyl)-4-ethyl-2-(ethylamino)-5-thiazolecarboxamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_82856"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "rac-ethaboxam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "rac-N-[cyano(2-thienyl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "racemic ethaboxam",
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  },
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  "parent_flow_object_id": null,
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      "@value": "A racemate comprising equimolar amounts of (R)- and (S)-ethaboxam.  A fungicide used to control Oomycetes in vines and late potato blight. It is moderately toxic to birds, most aquatic species, honey bees and earthworms.",
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      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
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      }
    }
  ]
}

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