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Sulfadiazine

fo-0f79ccb756bd81f7

Identity

Type
Neutral molecule
CAS
68-35-9
EC
200-685-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Sulfadiazine

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

52

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SEEPANYCNGTZFQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
IUPAC name chemrof:IUPAC_name 4-amino-N-(pyrimidin-2-yl)benzenesulfonamide
Molecular formula chemrof:molecular_formula C10H10N4O2S
Molecular mass chemrof:molecular_mass 250.283
Monoisotopic mass chemrof:monoisotopic_mass 250.052447, 250.05245
SMILES string chemrof:smiles_string Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1

Known URLs

53

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=68-35-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9328 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.623 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7044130 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00359 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00359 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2500 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2500 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=35600 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757324 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL439 enrich_references.pubchem_identifier_url
gmelin gmelin:219136 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0N7609K889 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014503 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.418D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07658 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00587 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07658 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00587 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5457 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42733 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29468 enrich_references.pubchem_identifier_url
patent patent:GB557055 enrich_references.chebi_xrefs
patent patent:US2407966 enrich_references.chebi_xrefs
patent patent:US2410793 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA451539 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL439 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5215 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=007351 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=105152 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=105685 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11431418 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12811231 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/13037579 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15907564 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18706672 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20244050 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23206954 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23245764 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23270807 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23322489 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23396336 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23411088 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23411170 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23704574 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23707894 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7378112 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8429812 enrich_references.chebi_xrefs
reaxys reaxys:235192 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/10171 enrich_references.pubchem_identifier_url
vsdb vsdb:1740 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q2555060 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Sulfadiazine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
a292dc0f-ffa9-4890-aed8-d2ccf3131ad1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2efeb966-494e-4ab2-b249-c287783bbe84 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f99ce0ec-f557-4829-a169-ab4b269d3cb2 Environmental → Air → Indoor EF 3.1 kg 2
cd844550-095d-4eb1-a8dd-a73c039f2e95 Environmental → Air → Long-term EF 3.1 kg 0
b2aa098c-ed25-46b6-ba6f-6ea83c745975 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1e544a59-a722-4336-8b1a-3c1dab77c549 Environmental → Air → Unknown EF 3.1 kg 2
ba204d42-05fe-4c35-8930-07fc33a60ce2 Environmental → Ground → Agricultural EF 3.1 kg 2
640d9881-b2af-44a9-be12-e5a1b3b7c3e8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
328c4798-d5ae-487a-b280-f6ccf39b9714 Environmental → Ground → Unknown EF 3.1 kg 2
fa1e6ba6-f5b5-4c48-994b-5fb8a8a2aba6 Environmental → Water → Long-term EF 3.1 kg 0
b05762eb-1394-41f2-8c0b-aed90677374f Environmental → Water → Ocean EF 3.1 kg 2
3eb07ddf-c5c8-4ce2-891b-64309b639695 Environmental → Water → Surface water EF 3.1 kg 2
0ffdbc76-5cf4-4b6f-a64e-095be0ada780 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-0f79ccb756bd81f7",
  "prefLabel": [
    {
      "@value": "Sulfadiazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(4-Aminobenzenesulfonamido)pyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(4-Aminobenzenesulfonylamino)pyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(p-Aminobenzenesulfonamido)pyrimidin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-sulfanilamidopyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-sulfanilylaminopyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-[[(Pyrimidin-2-yl)amino]sulfonyl]aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Amino-N-(2-pyrimidyl)benzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-amino-N-(pyrimidin-2-yl)benzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-amino-N-2-pyrimidinylbenzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_9328"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Adiazin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adiazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonamide, 4-amino-N-2-pyrimidinyl-",
      "@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=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Coco-Diazine",
      "@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=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cremodiazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Debenal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Deltazina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Di-Azo-Mul",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diazin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diazovit",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Eskadiazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Honey diazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lipo-Diazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lipo-Levazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Liquadiazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D013411",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Microsulfon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N(1)-2-pyrimidinylsulfanilamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_9328"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N(1)-2-pyrimidylsulfanilamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_9328"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N1-2-Pyrimidinylsulfanilamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-35-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-35-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N1-2-Pyrimidylsulfanilamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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