Consensus flow list

Identity

Type
NeutralMolecule
CAS
189278-12-4
EC
606-168-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Proquinazid

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

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FLVBXVXXXMLMOX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
IUPAC name chemrof:IUPAC_name 6-iodo-2-propoxy-3-propyl-4(3H)-quinazolinone
Molecular formula chemrof:molecular_formula C14H17IN2O2
Molecular mass chemrof:molecular_mass 372.206
Monoisotopic mass chemrof:monoisotopic_mass 372.033476, 372.03348
SMILES string chemrof:smiles_string CCCOc1nc2ccc(I)cc2c(=O)n1CCC

Known URLs

16

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=189278-12-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83555 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.113.680 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1058008 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LIH67H4H0Z enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.417.039J enrich_references.pubchem_identifier_url
patent patent:CN101822255 enrich_references.chebi_xrefs
patent patent:DE10252657 enrich_references.chebi_xrefs
patent patent:WO2011073103 enrich_references.chebi_xrefs
patent patent:WO2011108758 enrich_references.chebi_xrefs
pesticides pesticides:proquinazid enrich_references.chebi_xrefs
ppdb ppdb:555 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11057771 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/19418441 enrich_references.chebi_xrefs
reaxys reaxys:11734280 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q5156108 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
c89952b5-a5d1-470b-8b94-2ef01ecb6f31 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
26d6ecb8-c3bc-4dbc-b058-15887f2a6c5b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2eeb34fd-2c99-4afc-a15c-2bd97378bab2 Environmental → Air → Indoor EF 3.1 kg 4
3d40ef6d-b288-4f08-bb2d-c00844d92a8d Environmental → Air → Long-term EF 3.1 kg 0
efd0ffc3-36fb-4129-854a-a41f1c319998 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7d347012-49ca-49d8-bb55-fa633acabcb3 Environmental → Air → Unknown EF 3.1 kg 4
ebe8489d-49d9-45f5-8e94-4891778d3c00 Environmental → Ground → Agricultural EF 3.1 kg 4
fbe27349-68d1-47d1-b735-e47fb928c3df Environmental → Ground → Non-agricultural EF 3.1 kg 4
c70e14f6f665fe6776240caf2ac4b9cd42c1d599 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
9c12c98f-2b8a-4130-b8bd-4bd250e5fe9e Environmental → Ground → Unknown EF 3.1 kg 4
03dfde49-e8d8-4fff-95d9-b8b9c5843749 Environmental → Water → Long-term EF 3.1 kg 0
5f045b0f-d8a2-481e-9efc-fb6dd35a6b76 Environmental → Water → Ocean EF 3.1 kg 4
ad9258e5-7220-44a9-9e84-46c5ec7e458b Environmental → Water → Surface water EF 3.1 kg 4
4ced36fa-de03-4a58-9c10-facb4aa5dee7 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
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  "altLabel": [
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}

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