Consensus flow list

Identity

Type
Neutral molecule
CAS
29975-16-4
EC
249-982-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Estazolam

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CDCHDCWJMGXXRH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
IUPAC name chemrof:IUPAC_name 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Molecular formula chemrof:molecular_formula C16H11ClN4
Molecular mass chemrof:molecular_mass 294.745
Monoisotopic mass chemrof:monoisotopic_mass 294.06722, 294.067224
SMILES string chemrof:smiles_string Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2

Known URLs

31

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
beilstein beilstein:1220868 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=29975-16-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4858 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.424 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5020572 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01215 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01215 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1056 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1056 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=290818 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL285674 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/36S3EQV54C enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015346 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.280K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D00311 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06981 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00311 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43428 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47520 enrich_references.pubchem_identifier_url
patent patent:DE1955349 enrich_references.chebi_xrefs
patent patent:DE2012190 enrich_references.chebi_xrefs
patent patent:DE2114441 enrich_references.chebi_xrefs
patent patent:US3701782 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA449502 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/CNU5MATKV29X enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL285674 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3261 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/7154007 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/4077 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q3045264 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Estazolam enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
1a3b1373-ef72-4ded-bec7-3ff108c0cf02 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
b01c0b4d-506b-471a-bfef-845ed47f9b74 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
981ae207-e07e-4e60-91b1-de846a5f512c Environmental → Air → Indoor EF 3.1 kg 0
b88fe347-c23b-4968-96f0-9ff84b271012 Environmental → Air → Long-term EF 3.1 kg 0
359d9b7e-7f4c-4656-9875-a97e25f4e90f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
fae72115-65fd-4194-a8bb-0f0a0c971c85 Environmental → Air → Unknown EF 3.1 kg 0
e9e61fa9-df44-4c20-a589-d5643876e0d4 Environmental → Ground → Agricultural EF 3.1 kg 0
fee20702-7cdf-4437-9d39-50f4f83bfbc6 Environmental → Ground → Non-agricultural EF 3.1 kg 0
f86809c4-2496-4c33-a5cf-4111caaca03e Environmental → Ground → Unknown EF 3.1 kg 0
d56a3fb5-ee1c-435e-b0a5-b57a8ee8990b Environmental → Water → Long-term EF 3.1 kg 0
6e7f61b5-1c46-462e-a509-fde4fe99b6f9 Environmental → Water → Ocean EF 3.1 kg 0
73483e98-cc75-4616-8123-1f3dfed65956 Environmental → Water → Surface water EF 3.1 kg 0
1c64210d-d500-4560-bb5c-5e44d85e4e65 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-c9f4805ad54dde17",
  "prefLabel": [
    {
      "@value": "Estazolam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
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      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4H-s-Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-phenyl-",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "8-Chloro-6-phenyl-4H-[1,2,4]-triazolo[4,3-(a)][1,4]benzodiazepine",
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    },
    {
      "@value": "8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "8-chloro-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine",
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    },
    {
      "@value": "8-Chloro-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine",
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      }
    },
    {
      "@value": "8-Chloro-6-phenyl-4H-s-triazolo[4,3-α][1,4]benzodiazepine",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cannoc",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "D 40TA",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Esilgan",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "estazolamum",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Eurodin",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Julodin",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D004949",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nemurel",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nuctalon",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ProSom",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Somnatrol",
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      "@lang": "en",
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  ],
  "properties": {
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      "attested_by": {
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      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
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      "rdfs:label": "InChI",
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