Brightway Flows 1.0
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Pronethalol

fo-b47c3bcad5b3ba4f

Identity

Type
Neutral molecule
CAS
54-80-8
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Pronethalol

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HRSANNODOVBCST-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3
IUPAC name chemrof:IUPAC_name 1-(Naphthalen-2-yl)-2-[(propan-2-yl)amino]ethan-1-ol
Molecular formula chemrof:molecular_formula C15H19NO
Molecular mass chemrof:molecular_mass 229.323
Monoisotopic mass chemrof:monoisotopic_mass 229.14666, 229.146664
SMILES string chemrof:smiles_string CC(C)NCC(O)c1ccc2ccccc2c1

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=54-80-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8463 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021193 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2289 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2289 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL16476 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XBP4RT1IMQ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256806 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J793E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11707 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11707 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5176 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67488 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C82257 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL16476 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4930 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q6479083 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pronethalol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
448988e6-4583-4215-a750-996ab63dddd8 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
45f5b4d6-3e8d-4f3d-972f-0894c27a6a63 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
ea5a7a6f-875a-44df-b416-ff9403239d69 Environmental → Air → Indoor EF 3.1 kg 0
4e519733-6346-469f-a3c8-5614a770d0ee Environmental → Air → Long-term EF 3.1 kg 0
9a8b82f1-a0ee-4ea3-ad14-32f72483e8f7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
722f27ab-9a43-4877-bc92-c30d691cc537 Environmental → Air → Unknown EF 3.1 kg 0
d49f13ba-14d3-4075-97b8-11cbfe1316d2 Environmental → Ground → Agricultural EF 3.1 kg 0
30254db9-3ab8-4b28-a39c-04359525e525 Environmental → Ground → Non-agricultural EF 3.1 kg 0
d91203fe-f0e6-49f3-b8a3-3bc9c89a71cb Environmental → Ground → Unknown EF 3.1 kg 0
a16eb773-2358-4c27-9b02-c5120b863be0 Environmental → Water → Long-term EF 3.1 kg 0
a66bb415-95c6-4dd5-a467-844212598cb3 Environmental → Water → Ocean EF 3.1 kg 0
80fc0567-642b-4b8a-9bf0-46d6bb1c1d7c Environmental → Water → Surface water EF 3.1 kg 0
93872057-e0d3-4935-8fdf-a288b2506b6e Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b47c3bcad5b3ba4f",
  "prefLabel": [
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      "@value": "Pronethalol",
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  "altLabel": [
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      "@value": "(+/-)-Pronethalol",
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    },
    {
      "@value": "(±)-1-(2′-Naphthyl)-2-isopropylaminoethanol",
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    {
      "@value": "Inetol",
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    },
    {
      "@value": "naphthylisoproterenol",
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      "@value": "nethalide",
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    },
    {
      "@value": "Pronetalol",
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  "references": [
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