Consensus flow list

Identity

Type
Neutral molecule
CAS
53-19-0
EC
200-166-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Mitotane

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JWBOIMRXGHLCPP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
IUPAC name chemrof:IUPAC_name 1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane
Molecular formula chemrof:molecular_formula C14H10Cl4
Molecular mass chemrof:molecular_mass 320.046
Monoisotopic mass chemrof:monoisotopic_mass 317.95366, 317.953661
SMILES string chemrof:smiles_string Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1

Known URLs

26

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=53-19-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6954 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.152 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9020372 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB00648 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1820 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1820 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=38721 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755849 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1670 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/78E4J5IB5J enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014786 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.366H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D00420 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D00420 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-1451 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42968 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C664 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA164746157 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/SQALPCX5Y21A enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1670 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4211 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=028634 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/7004 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q417465 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Mitotane enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
855ef3db-2139-445f-9313-bfe6f87fd344 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
5b893162-b836-40f1-a66e-5f00603ffa7b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
19ecb32d-50cf-42e8-b205-1ffd891ec15d Environmental → Air → Indoor EF 3.1 kg 0
e0ce083f-3259-4b71-9d50-1d6f8ccbcfa0 Environmental → Air → Long-term EF 3.1 kg 0
6fe61c33-91c3-4d38-b321-bf8f3ed20846 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
2ce17a7e-a095-4e18-8507-23d74e8556bb Environmental → Air → Unknown EF 3.1 kg 0
0e1c0790-b6eb-4c4e-92b8-f8a9689fdac2 Environmental → Ground → Agricultural EF 3.1 kg 0
de3baf74-c752-470a-a94c-41a4b2e46bb0 Environmental → Ground → Non-agricultural EF 3.1 kg 0
0a4e2b4d-fa5c-45f1-b873-490ec66cc9c2 Environmental → Ground → Unknown EF 3.1 kg 0
a149835e-0ab6-4c8e-aab1-509ee9ab8b6e Environmental → Water → Long-term EF 3.1 kg 0
1e4ae776-3a52-4338-9541-5be6a3896ee9 Environmental → Water → Ocean EF 3.1 kg 0
3de9853d-a999-43b0-ae97-b3e5ae45f94e Environmental → Water → Surface water EF 3.1 kg 0
17736d15-c3c6-40e5-8485-e6f24c7959fe Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9a79d30bd14bd968",
  "prefLabel": [
    {
      "@value": "Mitotane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-19-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(2′-Chlorophenyl)-1-(4′-chlorophenyl)-2,2-dichloroethane",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4′-Dichlorodiphenyldichloroethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-19-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=53-19-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=53-19-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "chloditan",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "chlodithane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ethane, 1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "lysodren",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Lysodren (TN)",
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      "@lang": "en",
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      }
    },
    {
      "@value": "MeSH ID: D008939",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "mitotan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_6954"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "o,p′-DDD",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=53-19-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o,p′-Dichlorodiphenyldichloroethane",
      "@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=53-19-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o,p′-TDE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "opeprim",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H10Cl4"
      ],
      "attested_by": {
        "C14H10Cl4": [
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          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
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      },
      "rdfs:label": "Molecular formula",
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        },
        {
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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      "@value": [
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular mass",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
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      ],
      "attested_by": {
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