Consensus flow list

Triaziquone

fo-59a31d07a367bf60

Identity

Type
Neutral molecule
CAS
68-76-8
EC
200-692-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Triaziquone

Alternative labels

43

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PXSOHRWMIRDKMP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2
IUPAC name chemrof:IUPAC_name 1,1',1''-(3,6-Dioxo-1,4-cyclohexadiene-1,2,4-triyl)trisaziridine
Molecular formula chemrof:molecular_formula C12H13N3O2
Molecular mass chemrof:molecular_mass 231.255
Monoisotopic mass chemrof:monoisotopic_mass 231.100777, 231.10078
SMILES string chemrof:smiles_string O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1

Known URLs

32

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=68-76-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27090 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.629 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021370 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13304 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4372 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4372 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=29215 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL313302 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F3D5D9P25I enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0259153 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.368J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19542 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D07254 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19542 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D07254 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144658 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C903 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL313302 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6235 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3249 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=124411 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/146335 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20371239 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/362189 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3672382 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/582920 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/624547 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/74416 enrich_references.chebi_xrefs
reaxys reaxys:238057 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1323947 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Triaziquone enrich_references.chebi_xrefs

Elementary flows

12
Flow Context Source Unit CFs
d86cafd2-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
4d9a8790-3ddd-11dd-9767-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-9766-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9768-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-9765-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
4d9a8790-3ddd-11dd-9763-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
fe0acd60-3ddc-11dd-a3ae-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
4d9a8790-3ddd-11dd-9764-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
4d9a8790-3ddd-11dd-976a-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a3af-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
4d9a8790-3ddd-11dd-9769-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
4d9a8790-3ddd-11dd-976b-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-59a31d07a367bf60",
  "prefLabel": [
    {
      "@value": "Triaziquone",
      "@language": "en",
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  "altLabel": [
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    },
    {
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    },
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    {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,3,5-tris(aziridin-1-yl)-1,4-benzoquinone",
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    },
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    },
    {
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    },
    {
      "@value": "2,3,5-Tris(ethylenimino)-p-benzoquinone",
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      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "2,3,5-Tris(ethylenimino)benzoquinone",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,3,5-Trisethyleneiminobenzoquinone",
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      "provenance": {
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      }
    },
    {
      "@value": "2,5-Cyclohexadiene-1,4-dione, 2,3,5-tris(1-aziridinyl)-",
      "@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=68-76-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D014228",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-76-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-76-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oncoredox",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-76-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-76-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oncovedex",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-76-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Benzoquinone, 2,3,5-tris(1-aziridinyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-76-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-76-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Benzoquinone, tris(1-aziridinyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-76-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Prenimon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-76-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-76-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TEIB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-76-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-76-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trenimon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-76-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Treninon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Triazichon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_27090"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "triazicuona",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_27090"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Triaziquinone",
      "@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": "Triaziquinonum",
      "@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": "Triaziquon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Triaziquonum",
      "@language": "en",
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