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Chlozolinate

fo-3074f4ed9b8c905c

Identity

Type
Neutral molecule
CAS
84332-86-5
EC
282-714-4
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Chlozolinate

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

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IGUYEXXAGBDLLX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name Ethyl (+-)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate
Molecular formula chemrof:molecular_formula C13H11Cl2NO5
Molecular mass chemrof:molecular_mass 332.136, 332.139
Monoisotopic mass chemrof:monoisotopic_mass 331.001428, 331.00143
SMILES string chemrof:smiles_string CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O

Known URLs

10

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=84332-86-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3656 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C10979 enrich_references.chebi_xrefs
pesticides pesticides:chlozolinate enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10188194 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10423480 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10544898 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10888579 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6833413 enrich_references.chebi_xrefs
reaxys reaxys:1156137 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
3988c10bbd5170347a9f02d3422a03343fdfb33b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
c59439cac3d4cb5f4f61189e43d5ba39e87aadfd Environmental → Air → Unknown ecoinvent algorithm addition kg 0
ee5d633f63bf13a3bf18d1fefb54477179d4e3a3 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
c52971a87018d6fa8c6283a456667a37ad5e007f Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
83beacdf533afd95448197f1032c873291e606b9 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
644f19a56ce58e4f65f9ab18f30d80b141cd2ccd Environmental → Water → Surface water ecoinvent algorithm addition kg 0
93fecdd1820f3e4131a2fd0af28f82996273bd97 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 
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A racemate comprising equimolar amounts of (R)- and (S)-chlozolinate. An obsolete fungicide, formerly used as a foliar spray against Botrytis, Sclerotinia and Monilia spp.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_3656"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
      "rdfs:label": "agrochemical",
      "http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
      "rdfs:label": "fungicide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy fungal pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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