Consensus flow list

Identity

Type
NeutralMolecule
CAS
21416-87-5
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Razoxane

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BMKDZUISNHGIBY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)
IUPAC name chemrof:IUPAC_name (+,-)-1,2-Bis(3,5-dioxopiperazine-1-yl)propane
Molecular formula chemrof:molecular_formula C11H16N4O4
Molecular mass chemrof:molecular_mass 268.273
Monoisotopic mass chemrof:monoisotopic_mass 268.11715, 268.117155
SMILES string chemrof:smiles_string CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1

Known URLs

18

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=21416-67-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=21416-87-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:50225 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.040.330 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0020733 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4031 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4031 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=129943 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL444186 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5AR83PR647 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245675 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.256I enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D08471 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C801 enrich_references.pubchem_identifier_url
patent patent:DE1941564 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/30623 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=010575 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q3930720 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
3e4cb44c-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
4d9a8790-3ddd-11dd-92af-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-92ae-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-92b0-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-92ad-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
4d9a8790-3ddd-11dd-92ab-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
4d9a8790-3ddd-11dd-92ca-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
4d9a8790-3ddd-11dd-92ac-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
4d9a8790-3ddd-11dd-92c8-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-92cb-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
4d9a8790-3ddd-11dd-92c7-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
4d9a8790-3ddd-11dd-92c9-0050c2490048 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-11be44abe1e9a424",
  "prefLabel": [
    {
      "@value": "Razoxane",
      "@language": "en",
      "@lang": "en",
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          "CAS:21416-87-5",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(+,-)-1,2-Bis(3,5-dioxopiperazine-1-yl)propane",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(±)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "(±)-1,2-Bis(3,5-dioxopiperazinyl)propane",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Bis(3,5-dioxo-1-piperazinyl)propane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "1,2-bis(3,5-dioxopiperazinyl)propane",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "2,6-Piperazinedione, 4,4′-(1-methyl-1,2-ethanediyl)bis-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "2,6-Piperazinedione, 4,4′-propylenedi-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4'-propane-1,2-diyldipiperazine-2,6-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "4,4′-(1-Methyl-1,2-ethanediyl)bis[2,6-piperazinedione]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Propylenebis(2,6-piperazinedione)",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Propylenedi(2,6-piperazinedione)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "razoxana",
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      "provenance": {
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    },
    {
      "@value": "razoxanum",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Razoxin",
      "@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": "Tepirone",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Troxozone",
      "@language": "en",
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      "provenance": {
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  ],
  "properties": {
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      "@value": [
        "C11H16N4O4"
      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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      "rdfs:label": "SMILES",
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      "provenance": [
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      "rdfs:label": "InChI",
      "@value": [
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      "rdfs:label": "IUPAC name",
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  },
  "references": [
    {
      "@id": "drugcentral:4031",
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