Consensus flow list

Identity

Type
Neutral molecule
CAS
22760-18-5
EC
245-203-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Proquazone

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JTIGKVIOEQASGT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H18N2O/c1-12(2)20-16-11-13(3)9-10-15(16)17(19-18(20)21)14-7-5-4-6-8-14/h4-12H,1-3H3
IUPAC name chemrof:IUPAC_name 1-Isopropyl-4-phenyl-7-methyl-2(1H)-quinazolinone
Molecular formula chemrof:molecular_formula C18H18N2O
Molecular mass chemrof:molecular_mass 278.355
Monoisotopic mass chemrof:monoisotopic_mass 278.14191, 278.141913
SMILES string chemrof:smiles_string Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1

Known URLs

18

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=22760-18-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135151 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.041.079 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021210 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13649 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2311 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2311 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL268501 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/42VPJ2980S enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256848 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.480D enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D05638 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144598 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C73093 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL268501 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31508 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q7250480 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Proquazone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d27b64fb-eb83-42c1-900c-0dfc0152f498 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
5eb5bd9f-b67d-4c4b-8d06-240d335786bc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
beb0ca78-7771-4767-89d8-719448bdee78 Environmental → Air → Indoor EF 3.1 kg 0
617d1f7e-2242-4771-8d52-e174beb48db5 Environmental → Air → Long-term EF 3.1 kg 0
cad4dccc-33ac-4304-82db-36c450fff8a2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
5b41f493-2bad-416a-b86e-f037e9a9b24c Environmental → Air → Unknown EF 3.1 kg 0
3fe6a3f8-30b7-4294-a207-f5fb649b1c7f Environmental → Ground → Agricultural EF 3.1 kg 0
1d34223b-6a5e-4f0b-adfc-02492f52b825 Environmental → Ground → Non-agricultural EF 3.1 kg 0
e55e2158-cd52-4c5e-9494-87504db80a3b Environmental → Ground → Unknown EF 3.1 kg 0
e367ff3b-13d3-46e0-a713-4ecfe00d8f2f Environmental → Water → Long-term EF 3.1 kg 0
4cb951ae-a4ee-4db2-af06-4918fc814555 Environmental → Water → Ocean EF 3.1 kg 0
18b43057-db57-4786-81fd-6b9c6bec5131 Environmental → Water → Surface water EF 3.1 kg 0
9b1b72da-13ff-41dd-8248-4d9d8c031151 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-0102b6ed1558abaa",
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    {
      "@value": "Proquazone",
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