Brightway Flows 1.0
GitHub

Sulfamethazine

fo-3bdd07e9e751b869

Identity

Type
Neutral molecule
CAS
57-68-1
EC
200-346-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Sulfamethazine

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

68

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ASWVTGNCAZCNNR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
IUPAC name chemrof:IUPAC_name 2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine
Molecular formula chemrof:molecular_formula C12H14N4O2S
Molecular mass chemrof:molecular_mass 278.337
Monoisotopic mass chemrof:monoisotopic_mass 278.083747, 278.08375
SMILES string chemrof:smiles_string Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1

Known URLs

59

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=57-68-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:102265 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.315 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021290 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01582 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01582 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2502 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2502 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=67457 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=683529 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757326 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL446 enrich_references.pubchem_identifier_url
gmelin gmelin:1009759 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/48U51W007F enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015522 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2935.90.30.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J106.516E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19530 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D02436 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19530 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D02436 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5295 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43576 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61960 enrich_references.pubchem_identifier_url
patent patent:EP1861101 enrich_references.chebi_xrefs
patent patent:GB546158 enrich_references.chebi_xrefs
patent patent:GB552887 enrich_references.chebi_xrefs
patent patent:US2407966 enrich_references.chebi_xrefs
patent patent:US3119818 enrich_references.chebi_xrefs
patent patent:WO2005016386 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA451542 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL446 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5327 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=027749 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11431418 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14552772 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15603963 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17311370 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17596632 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20028131 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22903812 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23218311 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23384282 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23434485 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23454458 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23562141 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23636590 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23673752 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23673946 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23704574 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6864729 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7021831 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7328159 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8199304 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9886437 enrich_references.chebi_xrefs
reaxys reaxys:261304 enrich_references.chebi_xrefs
vsdb vsdb:1829 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q3976823 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Sulfadimidine enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
d86c88c8-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9b09-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6464f4fb-d103-4c76-8f5d-f3e0d947e893 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-9b08-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9b83-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-9b07-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9b05-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9b87-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9b06-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9b85-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9b88-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-9b84-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
2343b492647341fd0ca2f2123b18334b8a6114ce Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-9b86-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-3bdd07e9e751b869",
  "prefLabel": [
    {
      "@value": "Sulfamethazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-(4-Aminobenzenesulfonylamino)-4,6-dimethylpyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Sulfanilamido-4,6-dimethylpyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4,6-Dimethyl-2-sulfanilamidopyrimidine",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
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          "http://purl.obolibrary.org/obo/CHEBI_102265"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Azolmetazin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:57-68-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonamide, 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:57-68-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calfspan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:57-68-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calfspan Tablets",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:57-68-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cremomethazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:57-68-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diazil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:57-68-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DiazilSulfadine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimezathine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:57-68-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimidin R",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:57-68-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kelametazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:57-68-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mermeth",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:57-68-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D013418",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_102265"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N(1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_102265"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_102265"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N1-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N1-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=57-68-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neasina",
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