Consensus flow list

Identity

Type
NeutralMolecule
CAS
13457-18-6
EC
236-656-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Pyrazophos

What it is used for

4

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
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. 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

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JOOMJVFZQRQWKR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3
IUPAC name chemrof:IUPAC_name Ethyl 2-((diethoxyphosphinothioyl)oxy)-5-methylpyrazolo(1,5-a)pyrimidine-6-carboxylate
Molecular formula chemrof:molecular_formula C14H20N3O5PS
Molecular mass chemrof:molecular_mass 373.371
Monoisotopic mass chemrof:monoisotopic_mass 373.086128, 373.08613
SMILES string chemrof:smiles_string CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C

Known URLs

23

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
agr agr:IND83071499 enrich_references.chebi_xrefs
agr agr:IND87068666 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=13457-18-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81942 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.033.310 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7042352 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=232671 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1537719 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BEG0A8I17D enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256957 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.860K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18761 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18761 enrich_references.pubchem_identifier_url
patent patent:EP0111747 enrich_references.chebi_xrefs
pesticides pesticides:pyrazophos enrich_references.chebi_xrefs
ppdb ppdb:566 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/26033 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/1063720 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2742999 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7881218 enrich_references.chebi_xrefs
reaxys reaxys:577209 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q302171 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pyrazophos enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
29068977-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-ab82-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
93071dd7-c8c3-488f-b32e-a3d7535862bd Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-ab81-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ab83-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9eea-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9ee8-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-ab87-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a1ead3aca1e37e3aa7800c4b02eab09eeaaa9fbe Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9ee9-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-ab85-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ab88-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-ab84-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-ab86-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-68a7e2bea7b4909e",
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    {
      "@value": "Pyrazophos",
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  "altLabel": [
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    {
      "@value": "2-(O,O-Diethylthionophosphoryl)-5-methyl-6-carbethoxypyrazolopyrimidine",
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