Brightway Flows 1.0
GitHub

Ciprofibrate

fo-4162206681f9b125

Identity

Type
Neutral molecule
CAS
52214-84-3
EC
257-744-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Ciprofibrate

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KPSRODZRAIWAKH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
IUPAC name chemrof:IUPAC_name 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid
Molecular formula chemrof:molecular_formula C13H14Cl2O3
Molecular mass chemrof:molecular_mass 289.158
Monoisotopic mass chemrof:monoisotopic_mass 288.032
SMILES string chemrof:smiles_string CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O

Known URLs

25

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=52214-84-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:50867 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.052.478 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020331 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB09064 enrich_references.pubchem_identifier_url
drugcentral drugcentral:658 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/658 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759617 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL557555 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F8252JGO9S enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250268 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.383G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D03521 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D03521 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-1600 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=57559 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C87471 enrich_references.pubchem_identifier_url
patent patent:DE2343606 enrich_references.chebi_xrefs
patent patent:US3948973 enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/AHNNWLKHZ9KC enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL557555 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2763 enrich_references.pubchem_compound
reaxys reaxys:1984981 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q3496452 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ciprofibrate enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
3e4d5091-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-961f-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
11f9480e-7153-4bad-b3e7-d8f26e4885bf Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-961e-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9620-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9db4-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9db2-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9624-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9db3-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9622-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9625-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9621-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
30a08124d41f65e244c950f9811a42e34c706ec1 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
08a91e70-3ddc-11dd-9623-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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