Consensus flow list

Tepraloxydim

fo-ba00a24b97423103

Identity

Type
Neutral molecule
CAS
149979-41-9
EC
604-715-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Tepraloxydim

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

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IOYNQIMAUDJVEI-BMVIKAAMSA-N, IOYNQIMAUDJVEI-ZFNPBRLTSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14?
Isomeric SMILES string chemrof:isomeric_smiles_string CCC(=NOC/C=C/Cl)C1=C(O)CC(C2CCOCC2)CC1=O
IUPAC name chemrof:IUPAC_name 2-Cyclohexen-1-one, 2-[1-[[[(2E)-3-chloro-2-propen-1-yl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-
Molecular formula chemrof:molecular_formula C17H24ClNO4
Molecular mass chemrof:molecular_mass 341.835
Monoisotopic mass chemrof:monoisotopic_mass 341.139386, 341.13939
SMILES string chemrof:smiles_string CCC(=NOCC=CCl)C1=C(O)CC(C2CCOCC2)CC1=O

Known URLs

12

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=149979-41-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81816 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.113.792 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL109653 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G69988SF enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8QHN14BQ7F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.248.348A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.600.561D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18540 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18540 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135585373 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22808950 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
64b1f555-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9108-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
844bf43b-71a8-4c3b-bf33-0df3d582f757 Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9107-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9109-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9106-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-a243-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-a248-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2f602c3e621e4385772f518b0223435705923e2d Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a244-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-a246-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a249-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-a245-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-a247-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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