Quinmerac
fo-e1cafaa8e3bf20a9
Identity
- Type
- Neutral molecule
- CAS
- 90717-03-6
- EC
- 402-790-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
4
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 |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | 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 |
| plant growth regulator CHEBI:26155 | A chemical, natural or artificial, that can affect the rate of growth of a plant. | ChEBI |
Alternative labels
3- 7-Chloro-3-methyl-8-quinolinecarboxylic acid
- 7-chloro-3-methylquinoline-8-carboxylic acid
- 8-Quinolinecarboxylic acid, 7-chloro-3-methyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ALZOLUNSQWINIR-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15) |
| IUPAC name chemrof:IUPAC_name | 7-Chloro-3-methyl-8-quinolinecarboxylic acid |
| Molecular formula chemrof:molecular_formula | C11H8ClNO2 |
| Molecular mass chemrof:molecular_mass | 221.643 |
| Monoisotopic mass chemrof:monoisotopic_mass | 221.024356, 221.02436 |
| SMILES string chemrof:smiles_string | Cc1cnc2c(C(=O)O)c(Cl)ccc2c1 |
Known URLs
24Where 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=90717-03-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84199 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.458 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.126.553 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1042364 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2448918 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0OFY83UPMH | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0257043 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J661.713A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18891 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18891 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=87126 | enrich_references.pubchem_identifier_url |
| patent | patent:EP0445420 | enrich_references.chebi_xrefs |
| patent | patent:EP2272349 | enrich_references.chebi_xrefs |
| pesticides | pesticides:quinmerac | enrich_references.chebi_xrefs |
| ppdb | ppdb:578 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/91749 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11080318 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11520869 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11871567 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25551708 | enrich_references.chebi_xrefs |
| reaxys | reaxys:8392904 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q2124519 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Quinmerac | enrich_references.pubchem_identifier_url |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4a741b88-61dd-4bc3-8ec7-11d5ccee2390 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4e686152-00f6-44f3-b666-011faab31a3f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| b8c3247b-d3f5-4643-ab39-626fb66168dc | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 2e24c8e5-757a-4b70-9380-579a96142d7b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 56b576aa-19e1-459e-b449-af7b1bafcdb9 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| b6cb1a76-6b39-45cf-a1c6-ca282e8b2260 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 1ff27ee2-23f8-4747-826a-f5ce5bbcf666 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fe16c3b2-408b-483b-b774-b1c5468de872 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 998a7a5a8f56b36a98405d643d6a5f122d52bb80 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 02d3e0f3-a198-4ec3-a7cc-4d5d5f85843f | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 8e424066-2351-47f4-9e15-81ab785bc690 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c505bef3-5396-4b6c-85b4-ab3c4f7d4963 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 91bfa732d1016a3087fab5b1548679795c05ec27 | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| 8a3e107d-3693-49e7-b39e-ba8d0ebf860e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| a03d4296-1e57-44d5-95eb-92a53ed8cc8a | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works