Consensus flow list

Identity

Type
Neutral molecule
CAS
22494-47-9
EC
245-035-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Clobuzarit

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UGOFYAXVVVXMQT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20)
IUPAC name chemrof:IUPAC_name 2-[(4′-Chloro[1,1′-biphenyl]-4-yl)methoxy]-2-methylpropanoic acid
Molecular formula chemrof:molecular_formula C17H17ClO3
Molecular mass chemrof:molecular_mass 304.773
Monoisotopic mass chemrof:monoisotopic_mass 304.08662, 304.086622
SMILES string chemrof:smiles_string CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O

Known URLs

14

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=22494-47-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135294 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.040.926 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020335 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB21315 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3716 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3716 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL164447 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W3D7B06505 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250334 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.498G enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C78132 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/71697 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27292252 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dab5f047-d7f2-4b04-91f6-31239ab5cbe3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a06cb482-2cc4-4504-8abe-11e531865413 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a9b5d04c-b9d7-4d47-95fa-9107ccfe480a Environmental → Air → Indoor EF 3.1 kg 2
ff671de3-00ea-4248-90ae-4caf50cf6c10 Environmental → Air → Long-term EF 3.1 kg 0
aa40b759-92fd-42a8-8241-0e2f8a1ea3ef Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
dc124009-f3a7-4d96-8d66-e3b1e97dfff5 Environmental → Air → Unknown EF 3.1 kg 2
98790eca-d6fd-4a01-88dd-4984077fc059 Environmental → Ground → Agricultural EF 3.1 kg 2
fea087fe-4b3b-4e32-a4be-72f63b25fc82 Environmental → Ground → Non-agricultural EF 3.1 kg 2
cc529832-3e24-4bb5-bf29-feb76fd288b9 Environmental → Ground → Unknown EF 3.1 kg 2
68d45809-c72b-460c-bc13-6860a1b685ab Environmental → Water → Long-term EF 3.1 kg 0
57333c1c-02fc-4606-bff2-28ada2022c4b Environmental → Water → Ocean EF 3.1 kg 2
52bac16e-e54c-4133-8867-b1389e558eef Environmental → Water → Surface water EF 3.1 kg 2
bad260c0-0809-4a32-9d5d-07162f999b7d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-77e3478be0cbe1e8",
  "prefLabel": [
    {
      "@value": "Clobuzarit",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "2-[(4′-Chloro[1,1′-biphenyl]-4-yl)methoxy]-2-methylpropanoic acid",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "2-[[4-(4-Chlorophenyl)phenyl]methoxy]-2-methylpropanoic acid",
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        ],
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      }
    },
    {
      "@value": "2-[[4-(p-Chlorophenyl)benzyl]oxy]-2-methylpropionic acid",
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    },
    {
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    },
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    },
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      "@value": "Propionic acid, 2-[[p-(p-chlorophenyl)benzyl]oxy]-2-methyl-",
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