Consensus flow list

Identity

Type
Neutral molecule
CAS
1156-19-0
EC
214-588-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tolazamide

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OUDSBRTVNLOZBN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
IUPAC name chemrof:IUPAC_name 1-(hexahydro-1-azepinyl)-3-p-tolylsulfonylurea
Molecular formula chemrof:molecular_formula C14H21N3O3S
Molecular mass chemrof:molecular_mass 311.407
Monoisotopic mass chemrof:monoisotopic_mass 311.13036, 311.130363
SMILES string chemrof:smiles_string Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1

Known URLs

30

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=1156-19-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9613 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.013.262 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021358 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00839 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00839 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2694 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2694 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=70762 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758149 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL817 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9LT1BRO48Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014977 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.663C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D00379 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D00379 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-2699 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43125 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29502 enrich_references.pubchem_identifier_url
patent patent:GB887886 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA164774902 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/GCMLDQBHFX91 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL817 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5503 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=125370 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/15901207 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8237731 enrich_references.chebi_xrefs
reaxys reaxys:1323565 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q7814101 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tolazamide enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
2fe5afd2-2bf0-4153-8f87-5ec8f0f3d55f Environmental → Air → Aircraft cruise height EF 3.1 kg 0
99edcb6f-a02c-4c02-8b90-60e846a68f69 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
b4c47005-dd83-42e5-aba8-97952fb18fb1 Environmental → Air → Indoor EF 3.1 kg 0
4a8423ec-e25f-44bd-b0d6-77951197bfaf Environmental → Air → Long-term EF 3.1 kg 0
a7736ac4-8dce-48e8-bb3d-8484d8ef25b3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
20f9b673-ed92-4ac5-a91d-4bfb7b588804 Environmental → Air → Unknown EF 3.1 kg 0
3edc9009-dde2-4a7d-9701-8d91f6a95efe Environmental → Ground → Agricultural EF 3.1 kg 0
903edf0a-f471-488f-ac88-403761eb6804 Environmental → Ground → Non-agricultural EF 3.1 kg 0
0dbb84be-2d2e-4132-b451-1b8a2adfbb59 Environmental → Ground → Unknown EF 3.1 kg 0
6e836cf6-5f23-4bb4-a36b-e306c1a6a94f Environmental → Water → Long-term EF 3.1 kg 0
b6807ca3-0537-4af7-b7c9-b4728f37dead Environmental → Water → Ocean EF 3.1 kg 0
43c53727-244c-46d3-aae1-e81c31546483 Environmental → Water → Surface water EF 3.1 kg 0
3a56af96-5b7e-460e-b596-a36d8a3dadff 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-518c64b65678d37c",
  "prefLabel": [
    {
      "@value": "Tolazamide",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-(4-Methylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(Azepan-1-yl)-3-(4-methylphenyl)sulfonylurea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "1-(hexahydro-1-azepinyl)-3-p-tolylsulfonylurea",
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      }
    },
    {
      "@value": "1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide",
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      "provenance": {
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    },
    {
      "@value": "Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-",
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      }
    },
    {
      "@value": "Diabewas",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "MeSH ID: D014042",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(azepan-1-ylcarbamoyl)-4-methylbenzenesulfonamide",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(p-toluenesulfonyl)-N'-hexamethyleniminourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(p-Toluenesulfonyl)-N′-hexamethyleniminourea",
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      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "N-[[(Hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methylbenzenesulfonamide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-{[(hexahydro-1H-azepin-1-yl)-amino]carbonyl}-4-methylbenzenesulfonamide",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Norglycin",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tolanase",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "tolazamida",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "tolazamidum",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tolinase",
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      "provenance": {
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      }
    },
    {
      "@value": "Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)-",
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      "@lang": "en",
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