Consensus flow list

Diniconazole-m

fo-f22cd7a7ffc99283

Identity

Type
NeutralMolecule
CAS
83657-18-5
EC
617-482-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Diniconazole-m

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

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

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FBOUIAKEJMZPQG-BLXFFLACSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+/t14-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC(C)(C)[C@@H](O)/C(=C\c1ccc(Cl)cc1Cl)n1cncn1
IUPAC name chemrof:IUPAC_name (1E,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
Molecular formula chemrof:molecular_formula C15H17Cl2N3O
Molecular mass chemrof:molecular_mass 326.227
Monoisotopic mass chemrof:monoisotopic_mass 325.074868, 325.07487
SMILES string chemrof:smiles_string CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1

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=83657-18-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83911 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.113.138 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2034548 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1870418 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O8QD971Z1G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J138.309D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143668 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C98016 enrich_references.pubchem_identifier_url
pesticides pesticides:diniconazole-m enrich_references.chebi_xrefs
ppdb ppdb:2907 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6440728 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/23056532 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30401538 enrich_references.chebi_xrefs
reaxys reaxys:7381524 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27157326 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
2dff35cb-5bfa-4979-b6a5-d4d9c5f16792 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
dec2eed9-3178-43f9-98cb-f27a29e6df49 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
96dd4c0a-1779-4c28-afa4-18f437e37b02 Environmental → Air → Indoor EF 3.1 kg 4
7b9c2a73-0618-431f-9a0c-81d8ec5b416e Environmental → Air → Long-term EF 3.1 kg 0
cdaa3fae-a940-4a46-a292-03ce4a4943c9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b28afed5-9a5a-4f39-8e6c-664b6109ca38 Environmental → Air → Unknown EF 3.1 kg 4
36912fd1-ee73-46b3-863b-2857421be0d8 Environmental → Ground → Agricultural EF 3.1 kg 4
091cca73-43cd-4647-a333-d06448d2046c Environmental → Ground → Non-agricultural EF 3.1 kg 4
9690ec451072045ebac3d8b6a94cf564c75ddcef Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
6a4fff7a-33bc-473c-9210-e78fd597e71a Environmental → Ground → Unknown EF 3.1 kg 4
b92ca93e-f44d-4455-968f-319be2c592f7 Environmental → Water → Long-term EF 3.1 kg 0
ef7aa116-c727-4244-a702-9c3f3bb5b111 Environmental → Water → Ocean EF 3.1 kg 4
432dff56-1a23-4a50-90de-a5294d52d80d Environmental → Water → Surface water EF 3.1 kg 4
53299f27-2455-4bfd-808c-f91d51122edb 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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