Proquinazid
fo-43b0ae09d8cc029a
Identity
- Type
- Neutral molecule
- CAS
- 189278-12-4
- EC
- 606-168-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
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
4- 4(3H)-Quinazolinone, 6-iodo-2-propoxy-3-propyl-
- 6-iodo-2-propoxy-3-propyl-4(3H)-quinazolinone
- 6-iodo-2-propoxy-3-propylquinazolin-4(3h)-one
- Talius
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FLVBXVXXXMLMOX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 6-iodo-2-propoxy-3-propyl-4(3H)-quinazolinone |
| Molecular formula chemrof:molecular_formula | C14H17IN2O2 |
| Molecular mass chemrof:molecular_mass | 372.206 |
| Monoisotopic mass chemrof:monoisotopic_mass | 372.033476, 372.03348 |
| SMILES string chemrof:smiles_string | CCCOc1nc2ccc(I)cc2c(=O)n1CCC |
Known URLs
16Where 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=189278-12-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83555 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.113.680 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1058008 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LIH67H4H0Z | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.417.039J | enrich_references.pubchem_identifier_url |
| patent | patent:CN101822255 | enrich_references.chebi_xrefs |
| patent | patent:DE10252657 | enrich_references.chebi_xrefs |
| patent | patent:WO2011073103 | enrich_references.chebi_xrefs |
| patent | patent:WO2011108758 | enrich_references.chebi_xrefs |
| pesticides | pesticides:proquinazid | enrich_references.chebi_xrefs |
| ppdb | ppdb:555 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11057771 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19418441 | enrich_references.chebi_xrefs |
| reaxys | reaxys:11734280 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q5156108 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c89952b5-a5d1-470b-8b94-2ef01ecb6f31 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 26d6ecb8-c3bc-4dbc-b058-15887f2a6c5b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 2eeb34fd-2c99-4afc-a15c-2bd97378bab2 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 3d40ef6d-b288-4f08-bb2d-c00844d92a8d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| efd0ffc3-36fb-4129-854a-a41f1c319998 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 7d347012-49ca-49d8-bb55-fa633acabcb3 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| ebe8489d-49d9-45f5-8e94-4891778d3c00 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fbe27349-68d1-47d1-b735-e47fb928c3df | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| c70e14f6f665fe6776240caf2ac4b9cd42c1d599 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 9c12c98f-2b8a-4130-b8bd-4bd250e5fe9e | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 03dfde49-e8d8-4fff-95d9-b8b9c5843749 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5f045b0f-d8a2-481e-9efc-fb6dd35a6b76 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ad9258e5-7220-44a9-9e84-46c5ec7e458b | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 4ced36fa-de03-4a58-9c10-facb4aa5dee7 | 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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"rule": "neutral_molecule",
"reason": "",
"types": [
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],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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}
}
},
"classifications": {
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"@value": [
"189278-12-4"
],
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"https://commonchemistry.cas.org/detail?cas_rn=189278-12-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=189278-12-4"
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],
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}
},
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"@value": [
"606-168-7"
],
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"https://echa.europa.eu/search-for-chemicals?query=606-168-7"
],
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],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 3 and 6 by propoxy, propyl and iodo groups respectively. A fungicide with the potential to control powdery mildew in a range of crops including cereals and grapes.",
"@language": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
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],
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{
"@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
"rdfs:label": "agrochemical",
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}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
"rdfs:label": "fungicide",
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"provenance": {
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}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
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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