Cloquintocet-mexyl

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

(RS)-1-methylhexyl (5-chloroquinolin-8-yloxy)acetate
(RS)-heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate
1-Methylhexyl 2-[(5-chloroquinolin-8-yl)oxy]acetate
Acetic acid, 2-[(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester
Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester
CGA 185072
Cloquintocet 1-methylhexyl ester
rac-1-methylhexyl 2-[(5-chloro-8-quinolinyl)oxy]acetate
rac-2-heptyl 2-(5-chloro-8-quinolinyloxy)acetate
rac-heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	COYBRKAVBMYYSF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3
IUPAC name chemrof:IUPAC_name	(RS)-1-methylhexyl (5-chloroquinolin-8-yloxy)acetate
Molecular formula chemrof:molecular_formula	C18H22ClNO3
Molecular mass chemrof:molecular_mass	335.831
Monoisotopic mass chemrof:monoisotopic_mass	335.128821
SMILES string chemrof:smiles_string	CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12

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:IND605950072	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=99607-70-2	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:143152	enrich_references.chebi_id_link
pesticides	pesticides:derivatives/cloquintocet-mexyl	enrich_references.chebi_xrefs
ppdb	ppdb:170	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22183978	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/28848566	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/7925976	enrich_references.chebi_xrefs
reaxys	reaxys:9932835	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
fbc33bc5-14bf-4c24-ba12-52aba4a73e7f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
e2402fc2-58d5-4ef7-8386-ddf7a6165365	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
3f0eac2c-bcca-4f53-a132-e08cb50caa79	Environmental → Air → Indoor	EF 3.1	kg	4
0b8b7ba8-7c2f-4c70-b36e-fdb4195c29df	Environmental → Air → Long-term	EF 3.1	kg	0
7ba1d018-9e97-41cf-b998-33876cce8338	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
1871b87d-ad0a-4ae3-84c5-500af6742cf3	Environmental → Air → Unknown	EF 3.1	kg	4
567b0d1b-8922-4b35-b0cc-4d229082c1f6	Environmental → Ground → Agricultural	EF 3.1	kg	4
966d2e38-3af2-4fa8-90f9-4b92125e136d	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
41ee3c031b821a49e4195fd7397b2b428590a2c4	Environmental → Ground → Silvicultural	ecoinvent algorithm addition	kg	0
f3bffec2-5030-44a6-b54d-84a892ed63cc	Environmental → Ground → Unknown	EF 3.1	kg	4
149f4451-374c-4bcc-be9b-2802fe00b620	Environmental → Water → Long-term	EF 3.1	kg	0
a976f44c-39df-46ca-8b22-d53143a99c56	Environmental → Water → Ocean	EF 3.1	kg	4
50713c4a-327e-4946-95b7-41deaaad3d55	Environmental → Water → Surface water	EF 3.1	kg	4
f119b66a-73f7-4c4b-a692-94c4bf406e33	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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      "http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

Cloquintocet-mexyl

Identity

Structure

What it is used for

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard