Brightway Flows 1.0
GitHub

Practolol

fo-abe06858d0dd4130

Identity

Type
Neutral molecule
CAS
6673-35-4
EC
229-712-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Practolol

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DURULFYMVIFBIR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
IUPAC name chemrof:IUPAC_name 1-(4-acetamidophenoxy)-3-isopropylamino-2-propanol
Molecular formula chemrof:molecular_formula C14H22N2O3
Molecular mass chemrof:molecular_mass 266.341
Monoisotopic mass chemrof:monoisotopic_mass 266.16304, 266.163043
SMILES string chemrof:smiles_string CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1

Known URLs

27

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=6673-35-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:258351 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.027.012 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0021179 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01297 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01297 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3486 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3486 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL6995 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G01269QN enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SUG9176GRW enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015411 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.428J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11696 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D05587 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11696 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D05587 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-1531 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=146001 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76556 enrich_references.pubchem_identifier_url
patent patent:US3408387 enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/MYM8XBURZV6G enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL6995 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4883 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/6827543 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q7237376 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Practolol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
9a903c25-3372-493c-8e1d-a730fa319129 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
efd68223-2279-4cf0-93cf-54763a8c0bc0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
5ad23d3f-ffbb-4a0a-b3fd-de3aec5a7215 Environmental → Air → Indoor EF 3.1 kg 0
d7f27d04-fa7b-4e01-8d93-abe613b83f34 Environmental → Air → Long-term EF 3.1 kg 0
4d2232d3-bac8-4249-a313-01df0d02af51 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
a9af1d40-5d39-44a0-8f93-56d7a6c4b194 Environmental → Air → Unknown EF 3.1 kg 0
8046811a-a2d2-4e1a-ae39-5a23e59fc00d Environmental → Ground → Agricultural EF 3.1 kg 0
5e3ce5d0-7b4e-40da-b23a-f8de8d0c95e5 Environmental → Ground → Non-agricultural EF 3.1 kg 0
3830a71d-f607-47dd-b9b1-2292242508b3 Environmental → Ground → Unknown EF 3.1 kg 0
b8766c2f-3d99-4203-b5ea-58b33ddb95f3 Environmental → Water → Long-term EF 3.1 kg 0
7487a2e3-0c7a-4d7d-9e38-ff1ebd75843d Environmental → Water → Ocean EF 3.1 kg 0
c7b46266-722c-4e22-90f7-b01d36d01c88 Environmental → Water → Surface water EF 3.1 kg 0
deef987b-b89a-4f67-b708-86e23733d1d6 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-abe06858d0dd4130",
  "prefLabel": [
    {
      "@value": "Practolol",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "(+-)-practolol",
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    {
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      "@value": "N-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide",
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      "@value": "Racemic Practolol",
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    },
    {
      "@value": "Teranol",
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