Consensus flow list

Identity

Type
Neutral molecule
CAS
23031-25-6
EC
245-385-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Terbutaline

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XWTYSIMOBUGWOL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
IUPAC name chemrof:IUPAC_name 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol
Molecular formula chemrof:molecular_formula C12H19NO3
Molecular mass chemrof:molecular_mass 225.288
Monoisotopic mass chemrof:monoisotopic_mass 225.13649, 225.136493
SMILES string chemrof:smiles_string CC(C)(C)NCC(O)c1cc(O)cc(O)c1

Known URLs

52

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=23031-25-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9449 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.041.244 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7021310 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00871 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00871 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2598 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2598 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1760 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N8ONU3L3PG enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015009 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.466I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07129 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D08570 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07129 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D08570 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43147 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61965 enrich_references.pubchem_identifier_url
patent patent:WO2011112499 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA451616 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/33ZVAS8FT45D enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1760 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5403 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/12423672 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12569076 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21618259 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21996060 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22310877 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22363704 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22765375 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22767151 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22782385 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22813780 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22872661 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22988932 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23075357 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23126237 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23204625 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23283786 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23299764 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23325598 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23341043 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35802964 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36227333 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36715198 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36808376 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8298802 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9596106 enrich_references.chebi_xrefs
reaxys reaxys:2370513 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/10368 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q424340 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Terbutaline enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
3e4cb461-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9216-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
915a32ac-8797-4bcc-badc-eee0e6ae0145 Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9215-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9217-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9214-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-a25e-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-921b-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-a25f-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9219-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-921c-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9218-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
08a91e70-3ddc-11dd-921a-0050c2490048 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-b017c27c1210f2fc",
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      "@value": "1,3-Benzenediol, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-",
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    {
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      "@value": "Bricaril",
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    },
    {
      "@value": "Fasma",
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    },
    {
      "@value": "MeSH ID: D013726",
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      "@value": "Terbutalin",
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    },
    {
      "@value": "terbutalina",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "terbutalinum",
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  "properties": {
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