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Furalaxyl

fo-5682c39e70d86e4c

Identity

Type
Neutral molecule
CAS
57646-30-7
EC
260-875-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
67 across every transformer

Structure

Structure diagram for Furalaxyl

What it is used for

3

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CIEXPHRYOLIQQD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3
IUPAC name chemrof:IUPAC_name Methyl N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-DL-alaninate
Molecular formula chemrof:molecular_formula C17H19NO4
Molecular mass chemrof:molecular_mass 301.342
Monoisotopic mass chemrof:monoisotopic_mass 301.131408
SMILES string chemrof:smiles_string COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C

Known URLs

22

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=57646-30-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5194 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82787 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.055.323 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4047543 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183557 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9OY703A81O enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.702.062A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10941 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10941 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67747 enrich_references.pubchem_identifier_url
patent patent:EP2319310 enrich_references.chebi_xrefs
patent patent:MY145109 enrich_references.chebi_xrefs
pesticides pesticides:furalaxyl enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/42504 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/15341311 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22753298 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23716265 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24771637 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25065825 enrich_references.chebi_xrefs
reaxys reaxys:6427785 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q19280071 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
0f319b6c-68de-419e-b180-d1cc161cf8df Environmental → Air → Aircraft cruise height EF 3.1 kg 2
606e4078-cd2d-4116-b238-71c2a243fc7c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d8f3eb01-224d-4d39-ae7f-cbd1ae61a087 Environmental → Air → Indoor EF 3.1 kg 2
8ed7640b-2be9-40a6-a1d9-ae20f1203de9 Environmental → Air → Long-term EF 3.1 kg 0
eef7d6e3-0106-4617-b18b-dbe6058512cd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c3d215d5-3f9d-4b06-b34b-603358ff9085 Environmental → Air → Unknown EF 3.1 kg 2
f2468b1d-cbc4-44b8-a4e8-97a593f28e95 Environmental → Ground → Agricultural EF 3.1 kg 2
9b27e00b-57d3-4268-97e0-e56fefff6a12 Environmental → Ground → Non-agricultural EF 3.1 kg 2
b84e5b460b00fe14356f1e9670b7bb5f4a677e6e Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
b4be513e-4dcf-4e79-b8f1-66c50eb6a0c3 Environmental → Ground → Unknown EF 3.1 kg 2
eff0f3d2-4c93-4afd-9ca9-a4be3e9139d0 Environmental → Water → Long-term EF 3.1 kg 0
956e4246-cf5e-4c8f-9d2e-149254e6213f Environmental → Water → Ocean EF 3.1 kg 2
9c72cb6a-3c63-4580-9127-dc8f5be9ff77 Environmental → Water → Surface water EF 3.1 kg 2
34189658-f8aa-452d-92d3-57c3a03db34c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (67 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-5682c39e70d86e4c",
  "prefLabel": [
    {
      "@value": "Furalaxyl",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "altLabel": [
    {
      "@value": "(+-)-furalaxyl",
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    },
    {
      "@value": "(RS)-furalaxyl",
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    },
    {
      "@value": "Alanine, N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-, methyl ester",
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      "@value": "DL-Alanine, N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-, methyl ester",
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    {
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    {
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    {
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}

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