Consensus flow list

Fenpyroximate

fo-d9187e35bfddab1f

Identity

Type
Neutral molecule
CAS
134098-61-6
EC
603-792-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Fenpyroximate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

24

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YYJNOYZRYGDPNH-MFKUBSTISA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+
Isomeric SMILES string chemrof:isomeric_smiles_string Cc1nn(C)c(Oc2ccccc2)c1/C=N/OCc1ccc(C(=O)OC(C)(C)C)cc1
IUPAC name chemrof:IUPAC_name t-butyl (E)-alpha-(1,3-dimethyl-5-phenoxypyrazol-4-ylmethyleneaminooxy)-p-toluate
Molecular formula chemrof:molecular_formula C24H27N3O4
Molecular mass chemrof:molecular_mass 421.497
Monoisotopic mass chemrof:monoisotopic_mass 421.200156, 421.20016
SMILES string chemrof:smiles_string Cc1nn(C)c(Oc2ccccc2)c1C=NOCc1ccc(C(=O)OC(C)(C)C)cc1

Known URLs

17

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
beilstein beilstein:8352707 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=134098-61-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5011 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.106.703 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.118.242 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7032557 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB16164 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL365100 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9W557V4RYA enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J381.681H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J449.811I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11098 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11098 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53171 enrich_references.pubchem_identifier_url
ppdb ppdb:309 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9576412 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q1362242 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3f981906-91af-4f72-bddd-330ff98d5a6b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b4a00d61-ac00-4608-8e94-627800e616e9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
741ec05d-79ee-4537-b525-697fdc5cc776 Environmental → Air → Indoor EF 3.1 kg 4
2dc7d36f-e485-47ce-b95c-17bd0e3474e6 Environmental → Air → Long-term EF 3.1 kg 0
30bbf317-35fd-45e2-84a6-6db6c22123b1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e9f3791d-1dfa-457d-93b8-6b5941ff321d Environmental → Air → Unknown EF 3.1 kg 4
86b3e8ab-3f5b-4254-9c63-e4044c527478 Environmental → Ground → Agricultural EF 3.1 kg 4
55b8b087-3421-4f39-b4cd-d96bc120a1f5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5311ceabe314151affaeb8c7981df6152407146f Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
f3d519cf-bec6-4e41-9d70-5f32420c8a22 Environmental → Ground → Unknown EF 3.1 kg 4
1a129617-48c2-4494-97ea-0c85d4b001fd Environmental → Water → Long-term EF 3.1 kg 0
d30186d9-52da-413a-8fce-39994f6afe31 Environmental → Water → Ocean EF 3.1 kg 4
5d23e2e1-d741-4c5d-8e91-e923c688f038 Environmental → Water → Surface water EF 3.1 kg 4
9c8b4ac5-8c0a-4a20-a7d2-7cfb182f3750 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
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    {
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      "@value": "Flash UM",
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      "@value": "FujiMite",
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      "@value": "Kendo",
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      "@value": "Pyromite",
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      "@value": "t-butyl (E)-alpha-(1,3-dimethyl-5-phenoxypyrazol-4-ylmethyleneaminooxy)-p-toluate",
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    {
      "@value": "tert-Butyl 4-([[(E)-1,3-dimethyl-5-phenoxypyrazol-4-yl]methyl]aminooxymethyl)benzoate",
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