Brightway Flows 1.0
GitHub

Carbamazepine

fo-1d474414d40ca5ed

Identity

Type
Neutral molecule
CAS
298-46-4
EC
206-062-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Carbamazepine

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

36

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FFGPTBGBLSHEPO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
IUPAC name chemrof:IUPAC_name 5-Carbamoyl-5H-dibenz(b,f)azepine
Molecular formula chemrof:molecular_formula C15H12N2O
Molecular mass chemrof:molecular_mass 236.274
Monoisotopic mass chemrof:monoisotopic_mass 236.09496, 236.094963
SMILES string chemrof:smiles_string NC(=O)N1c2ccccc2C=Cc2ccccc21

Known URLs

90

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=298-46-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3387 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.512 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4022731 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00564 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00564 enrich_references.pubchem_identifier_url
drugcentral drugcentral:489 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/489 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=169864 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755920 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL108 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/33CM23913M enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014704 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.590A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06868 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00252 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06868 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00252 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-3610 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42899 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C341 enrich_references.pubchem_identifier_url
patent patent:US2004220187 enrich_references.chebi_xrefs
patent patent:US2007167446 enrich_references.chebi_xrefs
patent patent:US2011177136 enrich_references.chebi_xrefs
patent patent:US2011245283 enrich_references.chebi_xrefs
patent patent:US2948718 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA448785 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/7U7WXCCPXPYL enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL108 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2554 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=055321 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10411478 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11071486 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11129121 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11240598 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11475584 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11595204 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11888243 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11891095 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12073283 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12228880 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12475188 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12749779 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12799799 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12957643 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14160216 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14572037 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14581052 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14713026 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14723323 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15165631 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15557493 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15665743 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15683742 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15739418 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15820347 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15850602 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16033627 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16150575 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16245817 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16380297 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16394456 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16437428 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16538175 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16562645 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16616830 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16990009 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17027750 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17028629 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17207414 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17582711 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17873967 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17949959 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18163657 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18415623 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18637155 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18652684 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18656520 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18969759 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19135617 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19473818 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19741433 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19921623 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22322005 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27967303 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7602118 enrich_references.chebi_xrefs
reaxys reaxys:1246090 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2002 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q410412 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Carbamazepine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
3593ca90-5089-495f-bdeb-2f696025b76e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4b236794-2051-4977-828f-a8e440671212 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2626beab-b87e-4278-b109-a7d4ce57eba4 Environmental → Air → Indoor EF 3.1 kg 4
ec36070a-a1f6-445d-9f46-5bd24ffbc66f Environmental → Air → Long-term EF 3.1 kg 0
1b803b20-0dee-4ab7-8621-e33bd44116a8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a74eb228-3f0b-4550-9e52-c58dd7922436 Environmental → Air → Unknown EF 3.1 kg 4
52b448d9-02ca-45d7-92a3-1917d588ba75 Environmental → Ground → Agricultural EF 3.1 kg 4
d6e44e0f-faba-4096-b17a-c396778afb54 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4165adcd-d70b-4bc2-9ee2-ccabd11a014c Environmental → Ground → Unknown EF 3.1 kg 4
40e7b473-d9f6-4c7f-858e-54b3688b220e Environmental → Water → Long-term EF 3.1 kg 0
5abc8578-ff82-454d-85ff-5de616a06742 Environmental → Water → Ocean EF 3.1 kg 4
f384da9a-4844-4012-9dc4-e53797ba0345 Environmental → Water → Surface water EF 3.1 kg 4
b35c6070-cc44-40e3-afb7-8b23be7bc44c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-1d474414d40ca5ed",
  "prefLabel": [
    {
      "@value": "Carbamazepine",
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  "altLabel": [
    {
      "@value": "5-Carbamoyl-5H-dibenz(b,f)azepine",
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    {
      "@value": "5-carbamoyl-5H-dibenz[b,f]azepine",
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    },
    {
      "@value": "5-Carbamoyl-5H-dibenzo(b,f)azepine",
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    },
    {
      "@value": "5-Carbamyl-5H-dibenzo(b,f)azepine",
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    {
      "@value": "5H-Dibenz(b,f)azepine-5-carboxamide",
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    },
    {
      "@value": "5H-Dibenz[b,f]azepine-5-carboxamide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5H-dibenzo[b,f]azepine-5-carboxamide",
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      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_3387"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Amizepin",
      "@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=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Biston",
      "@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=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calepsin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:298-46-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamazepen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Carbamazepin",
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      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "carbamazepina",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "carbamazepinum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_3387"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Carbatrol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:298-46-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbazepine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:298-46-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbelan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:298-46-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carnexiv",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_3387"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "CBZ",
      "@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=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Epitol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Equetro",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Finlepsin",
      "@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=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Karbamazepin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:298-46-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Karbelex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:298-46-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=298-46-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
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