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Imazapyr-isopropylammonium Salt

fo-2c3af4b6340380b6

Identity

Type
Molecular complex
CAS
81510-83-0
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Imazapyr-isopropylammonium Salt

What it is used for

2

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

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KCTKQZUYHSKJLP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H15N3O3.C3H9N/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9;1-3(2)4/h4-7H,1-3H3,(H,17,18)(H,15,16,19);3H,4H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-[(RS)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]nicotinic acid - isopropylamine (1:1)
Molecular formula chemrof:molecular_formula C16H24N4O3
Molecular mass chemrof:molecular_mass 320.387, 320.393
Monoisotopic mass chemrof:monoisotopic_mass 320.18484, 320.184841
SMILES string chemrof:smiles_string CC(C)C1(C)N=C(c2ncccc2C(=O)O)NC1=O.CC(C)N

Known URLs

3

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=81510-83-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133212 enrich_references.chebi_id_link
pesticides pesticides:derivatives/imazapyr-isopropylammonium enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
fc91cf0d-b7f4-412c-8146-386059875982 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e6b7191b-0e09-4307-8c66-8ac492cfb391 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6e906529-ead8-49cf-bdce-2bab03c6a2f6 Environmental → Air → Indoor EF 3.1 kg 2
b2ec702e-7759-4d35-af5b-ee6fcc834bc9 Environmental → Air → Long-term EF 3.1 kg 0
e5f5961a-574e-455b-afc0-e52168356b44 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1042a152-9979-4817-98ab-050b3666df99 Environmental → Air → Unknown EF 3.1 kg 2
83927e1c-afcc-40a6-b75a-d77fcf4f28f7 Environmental → Ground → Agricultural EF 3.1 kg 2
bee67fa7-6542-47c4-a611-70df1eb068a3 Environmental → Ground → Non-agricultural EF 3.1 kg 2
921f7c14-2a00-407c-bd82-307843d06c94 Environmental → Ground → Unknown EF 3.1 kg 2
f5dfef7a-ace2-4854-aa5e-540a9f8c2c0c Environmental → Water → Long-term EF 3.1 kg 0
d388ac71-eeac-4112-9770-f03da4c76473 Environmental → Water → Ocean EF 3.1 kg 2
03f72eb3-3114-4c11-aaaa-ee03d4b32dfa Environmental → Water → Surface water EF 3.1 kg 2
638dd0a2-c433-442f-976c-b6c04aa6f4bb Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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        ]
      },
      "attested_by": {
        "KCTKQZUYHSKJLP-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    }
  },
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    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=81510-83-0",
      "provenance": {
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        ],
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          "http://purl.obolibrary.org/obo/CHEBI_133212"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "pesticides:derivatives/imazapyr-isopropylammonium",
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    "seed_source": "EF 3.1",
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      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/MolecularComplex"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
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      }
    }
  },
  "classifications": {
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      "@value": [
        "81510-83-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=81510-83-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=81510-83-0"
        }
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_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)-imazapyr-isopropylammonium. An inhibitor of acetohydroxyacid synthase, it is used as a herbicide, particularly for the control of perennial grasses, broad-leaved weeds, woody plants, brambles, etc., on non-crop land. It is not approved for use within the European Union.",
      "@language": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
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    "https://w3id.org/chemrof/MolecularComplex"
  ],
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    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24527",
      "rdfs:label": "herbicide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
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        ],
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    },
    {
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        ],
        "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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