Consensus flow list

Identity

Type
Neutral molecule
CAS
25451-15-4
EC
247-001-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Felbamate

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WKGXYQFOCVYPAC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
IUPAC name chemrof:IUPAC_name 2-phenyl-1,3-propanediol dicarbamate
Molecular formula chemrof:molecular_formula C11H14N2O4
Molecular mass chemrof:molecular_mass 238.243
Monoisotopic mass chemrof:monoisotopic_mass 238.095357, 238.09536
SMILES string chemrof:smiles_string NC(=O)OCC(COC(N)=O)c1ccccc1

Known URLs

34

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=25451-15-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4995 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.714 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9023041 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00949 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00949 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1140 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1140 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759866 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1094 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G66398VH enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X72RBB02N8 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015084 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.906J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07501 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00536 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07501 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00536 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-4232 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43208 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47530 enrich_references.pubchem_identifier_url
patent patent:US2884444 enrich_references.chebi_xrefs
patent patent:US4978680 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA449590 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/T5XG6NK31BLB enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1094 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3331 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/12825948 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12873507 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18311896 enrich_references.chebi_xrefs
reaxys reaxys:3345236 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/24812 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q421301 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Felbamate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
6260a2bf-be36-4f2f-816b-b59c3e86a334 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
85504c83-a710-46fd-b4d9-9dc01620dcd6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
84a81be0-8496-45f6-bfcb-c7591ead53b2 Environmental → Air → Indoor EF 3.1 kg 2
20f7980b-48b0-419f-8c36-17401abc5ec6 Environmental → Air → Long-term EF 3.1 kg 0
243d525e-ccec-473a-a2ae-45b038de69d9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3e14df7c-2fd8-4131-aeb2-cac4253ca1b9 Environmental → Air → Unknown EF 3.1 kg 2
941829df-5a5f-4b50-b38f-0c4b3d65226e Environmental → Ground → Agricultural EF 3.1 kg 2
3f91ef4c-7353-4d01-9bb7-216ecd32c5ec Environmental → Ground → Non-agricultural EF 3.1 kg 2
b537dcd9-9b21-4309-9738-073d23fb26a8 Environmental → Ground → Unknown EF 3.1 kg 2
908b39a4-4d38-4366-83ca-71b0525d3faa Environmental → Water → Long-term EF 3.1 kg 0
9d01c59c-282a-481d-a651-14c0a969a443 Environmental → Water → Ocean EF 3.1 kg 2
34481c16-5699-4502-abdf-4a84942b033d Environmental → Water → Surface water EF 3.1 kg 2
1e814a6d-f1a6-4272-a635-6738a669387c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-184c635c765361b0",
  "prefLabel": [
    {
      "@value": "Felbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Bis(carbamoyloxy)-2-phenylpropane",
      "@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=25451-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediol, 2-phenyl-, 1,3-dicarbamate",
      "@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=25451-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediol, 2-phenyl-, dicarbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=25451-15-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-phenyl-1,3-propanediol dicarbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-phenylpropane-1,3-diyl Dicarbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "carbamic acid 2-phenyltrimethylene ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_4995"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Carbamic acid 3-carbamoyloxy-2-phenyl-propyl ester",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Carbamic acid, 2-phenyltrimethylene ester",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "felbamato",
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      "provenance": {
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      }
    },
    {
      "@value": "felbamatum",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Felbamyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Felbatol",
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      "provenance": {
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        ],
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      }
    },
    {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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  "references": [
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