Consensus flow list

Identity

Type
NeutralMolecule
CAS
60207-93-4
EC
262-107-0
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Etaconazole

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

1

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DWRKFAJEBUWTQM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3
IUPAC name chemrof:IUPAC_name 1-((2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole
Molecular formula chemrof:molecular_formula C14H15Cl2N3O2
Molecular mass chemrof:molecular_mass 328.199
Monoisotopic mass chemrof:monoisotopic_mass 327.05413, 327.054132
SMILES string chemrof:smiles_string CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1

Known URLs

6

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=60207-93-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4874 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C11293 enrich_references.chebi_xrefs
patent patent:NZ587951 enrich_references.chebi_xrefs
ppdb ppdb:1196 enrich_references.chebi_xrefs
reaxys reaxys:834090 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
1bc022cb8f70cfda0384cd3f2f4ca3e723efca7d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
192c33173da2cb3251895c943dd1875d78f77700 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
570263ca5158b242c2f11d44049db6285952e8d9 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
ec11883cbd86f2f8ec42417228324554d8e6c81d Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
d5f48204ccd3048d5700bed822158b395f0ecaf8 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
e9e95677dff8dfdbccd1a5cd0d3ccc0ee4f08d02 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
7f0b0c5001284a0501b623ce0deccc73a7a2cb67 Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-20ce50aa34135957",
  "prefLabel": [
    {
      "@value": "Etaconazole",
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  "properties": {
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}

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