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Mebendazole

fo-7bde0c97912c3bfa

Identity

Type
Neutral molecule
CAS
31431-39-7
EC
250-635-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Mebendazole

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
nematicide CHEBI:25491 A substance used to destroy pests of the phylum Nematoda (roundworms). 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

27

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OPXLLQIJSORQAM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
IUPAC name chemrof:IUPAC_name (5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester
Molecular formula chemrof:molecular_formula C16H13N3O3
Molecular mass chemrof:molecular_mass 295.298
Monoisotopic mass chemrof:monoisotopic_mass 295.09569, 295.095691
SMILES string chemrof:smiles_string COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=31431-39-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6704 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.046.017 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.434.382 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4040682 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00643 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00643 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1641 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1641 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=184849 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757838 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL685 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/81G6I5V05I enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014781 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.773A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D00368 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D00368 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-3749 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42964 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47595 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA164776669 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL685 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4030 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=007900 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/6126101 enrich_references.chebi_xrefs
reaxys reaxys:759809 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/6672 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q422194 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Mebendazole enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
cdd71a9a-709b-43f1-8545-5bfef11fccb3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
219e8c5a-bb55-4d8e-9f05-b6dd97b0f281 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
89484686-3ba5-49d5-9572-2332631e01ba Environmental → Air → Indoor EF 3.1 kg 2
d97dc978-aa75-463d-9d69-476b44a5eaf8 Environmental → Air → Long-term EF 3.1 kg 0
3b67573c-78f7-4f71-bd3f-f8df0c189e5b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
16579746-3411-4276-b6ea-a9ee7afc008f Environmental → Air → Unknown EF 3.1 kg 2
f23a2243-18ac-40b3-8456-75f1b642e205 Environmental → Ground → Agricultural EF 3.1 kg 2
2c3e55a6-4855-4032-8e17-9297bcbb7973 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2383f2ba-d237-4134-94f2-82928bf08052 Environmental → Ground → Unknown EF 3.1 kg 2
65f79d1d-283b-451d-aa6d-75e781051e17 Environmental → Water → Long-term EF 3.1 kg 0
90c8889f-ccfc-4e51-b33d-cda3d47b1408 Environmental → Water → Ocean EF 3.1 kg 2
d79532f1-823a-47ca-b3eb-0499d8952a0e Environmental → Water → Surface water EF 3.1 kg 2
f894f06a-b5b5-4703-b60a-7f84888f84eb Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7bde0c97912c3bfa",
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    {
      "@value": "Mebendazole",
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    {
      "@value": "2-Benzimidazolecarbamic acid, 5-benzoyl-, methyl ester",
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      "@value": "Carbamic acid, (5-benzoyl-1H-benzimidazol-2-yl)-, methyl ester",
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      "@value": "Carbamic acid, N-(6-benzoyl-1H-benzimidazol-2-yl)-, methyl ester",
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    },
    {
      "@value": "Equivurm Plus",
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    },
    {
      "@value": "Lomper",
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      }
    },
    {
      "@value": "MBDZ",
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    },
    {
      "@value": "Mebenvet",
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        ],
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      }
    },
    {
      "@value": "Mebex",
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    },
    {
      "@value": "MeSH ID: D008463",
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    },
    {
      "@value": "methyl (5-benzoyl-1H-benzimidazol-2-yl)carbamate",
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    },
    {
      "@value": "Methyl 5-benzoyl-2-benzimidazolecarbamate",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl 5-benzoyl-2-benzimidazolylcarbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=31431-39-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Noverme",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=31431-39-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ovitelmin",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pantelmin",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Telmin",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vermicidin",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vermirax",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vermox",
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        ],
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    },
    {
      "@value": "Vermoxine",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Verpanyl",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zhihuanqing",
      "@language": "en",
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        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

Something wrong here?

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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