Consensus flow list

Identity

Type
Neutral molecule
CAS
219714-96-2
EC
606-869-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Penoxsulam

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SYJGKVOENHZYMQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)
IUPAC name chemrof:IUPAC_name 2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
Molecular formula chemrof:molecular_formula C16H14F5N5O5S
Molecular mass chemrof:molecular_mass 483.375
Monoisotopic mass chemrof:monoisotopic_mass 483.06358, 483.063581
SMILES string chemrof:smiles_string COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12

Known URLs

15

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=219714-96-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81776 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.107.359 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0034803 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1895913 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/784ELC1SCZ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256242 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.180.042B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18481 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18481 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143698 enrich_references.pubchem_identifier_url
ppdb ppdb:512 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11784975 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22808507 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Penoxsulam enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
1875ca55-4e10-4b05-a7f9-e71b1b058449 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d8765aa-03fc-430c-8c58-218c1aa7def9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e0e5576d-e155-41e3-94ad-631b53cb04d1 Environmental → Air → Indoor EF 3.1 kg 4
d5e46226-7fd1-47ff-b785-1b1180c36e47 Environmental → Air → Long-term EF 3.1 kg 0
14a95767-cc86-43e3-ae52-4e21c550f953 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5a8dc50a-8f2a-48c9-bbf8-549287a63f1f Environmental → Air → Unknown EF 3.1 kg 4
387b11f5-5ad4-48ed-a562-a4e7f6baea36 Environmental → Ground → Agricultural EF 3.1 kg 4
10da797e-69f0-4963-8ab4-c5389833293c Environmental → Ground → Non-agricultural EF 3.1 kg 4
117555d1824b4b82b1e7cb22607e2173445df193 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
0981a922-cc5e-4c86-98c1-1c86a61da116 Environmental → Ground → Unknown EF 3.1 kg 4
c62769c3-0b25-4dcd-8385-8ee60f7a64f6 Environmental → Water → Long-term EF 3.1 kg 0
0b4003c2-e035-4e9e-a98d-7f2fb293afe2 Environmental → Water → Ocean EF 3.1 kg 4
3f0f7c0c-b104-4fc4-b14c-49673afaf362 Environmental → Water → Surface water EF 3.1 kg 4
90a84797-b34a-435a-8abd-928377516e07 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-dcb83caa3a54b096",
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      "@value": "2-(2,2-difluoroethoxy)-n-{5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl}-6-(trifluoromethyl)benzene-1-sulfonamide",
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