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Oryzalin

fo-09abb8a241191923

Identity

Type
Neutral molecule
CAS
19044-88-3
EC
242-777-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Oryzalin

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
herbicide CHEBI:24527 A substance used to destroy plant 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

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UNAHYJYOSSSJHH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)
IUPAC name chemrof:IUPAC_name 3,5-Dinitro-N4,N4-dipropylsulphanilamide
Molecular formula chemrof:molecular_formula C12H18N4O6S
Molecular mass chemrof:molecular_mass 346.365
Monoisotopic mass chemrof:monoisotopic_mass 346.094705, 346.09471
SMILES string chemrof:smiles_string CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]

Known URLs

25

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=19044-88-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73163 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.873 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8024238 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=648479 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL295960 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/662E385DWH enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.969J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18877 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18877 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=66286 enrich_references.pubchem_identifier_url
patent patent:US2012108430 enrich_references.chebi_xrefs
pesticides pesticides:19044-88-3 enrich_references.chebi_xrefs
ppdb ppdb:494 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/29393 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=057076 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/20405146 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20870876 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21983568 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22771930 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23261650 enrich_references.chebi_xrefs
reaxys reaxys:2177305 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q410996 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Oryzalin enrich_references.chebi_xrefs

Elementary flows

16
Flow Context Source Unit CFs
3e4c8d54-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9184-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9675e351-c9d3-4c26-8b4d-828839303706 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9183-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9185-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-9f62-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-9e44-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9189-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
dc742434ed7e0daa7d1bf4c81161928556417e52 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-9e45-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9187-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-918a-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
b3418d4cd28e542d16bb6edb719459ca18cad62f Environmental → Water → River agribalyse algorithm addition kg 0
4d9a8790-3ddd-11dd-9186-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
d7d26fbcd8b5404b0805d45f055940a23a394bcf Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-9188-0050c2490048 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 
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