Consensus flow list

Identity

Type
NeutralMolecule
CAS
15310-01-7
EC
239-352-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Benodanil

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

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LJOZMWRYMKECFF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
IUPAC name chemrof:IUPAC_name 2-Iodobenzanilide
Molecular formula chemrof:molecular_formula C13H10INO
Molecular mass chemrof:molecular_mass 323.133
Monoisotopic mass chemrof:monoisotopic_mass 322.98071, 322.980712
SMILES string chemrof:smiles_string O=C(Nc1ccccc1)c1ccccc1I

Known URLs

21

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:GUA85008832 enrich_references.chebi_xrefs
agr agr:IND500643958 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=15310-01-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82052 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.035.759 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7041623 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=100499 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1357627 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/993ANP6B3R enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.997J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18907 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18907 enrich_references.pubchem_identifier_url
patent patent:WO2008135480 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:BOL enrich_references.chebi_xrefs
pesticides pesticides:benodanil enrich_references.chebi_xrefs
ppdb ppdb:65 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/27195 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/6732737 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7171370 enrich_references.chebi_xrefs
reaxys reaxys:2725018 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q19274959 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
829bfcd7-c50b-4582-a5a7-f016ac7e2bf4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8f5019ad-ca70-42af-8d72-17b02143957c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ee6d1498-1ee1-4070-be7e-958705a4f149 Environmental → Air → Indoor EF 3.1 kg 2
f709aaa1-b6db-4eb6-bbfc-02686299d37d Environmental → Air → Long-term EF 3.1 kg 0
aec6c0b3-0112-46b7-92a6-82ef3e7328ef Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
62a92a74-c903-4acc-b495-42c91a4a9e24 Environmental → Air → Unknown EF 3.1 kg 2
34c5a271-fef6-4438-881b-8c1ba8ff4f42 Environmental → Ground → Agricultural EF 3.1 kg 2
ed4906de-c8cd-405d-9434-7a1edc707007 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2d8ffb9f14b7931c880c35b1ae5a9b52a9144672 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
0a552e95-4211-456e-ae64-c5fd3f5a160f Environmental → Ground → Unknown EF 3.1 kg 2
81e087fa-2bc2-49b4-b65b-fefb3e06b806 Environmental → Water → Long-term EF 3.1 kg 0
8ed46626-d081-486d-9cad-379d0248bfd6 Environmental → Water → Ocean EF 3.1 kg 2
023a608c-55fb-4787-879f-3d7063ebea03 Environmental → Water → Surface water EF 3.1 kg 2
8c4b427d-1a70-4276-b611-7e0ce66171b3 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
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