Consensus flow list

Terbinafine

fo-7f6c352565fc02d0

Identity

Type
Neutral molecule
CAS
91161-71-6
EC
618-706-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Terbinafine

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DOMXUEMWDBAQBQ-WEVVVXLNSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
Isomeric SMILES string chemrof:isomeric_smiles_string CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12
IUPAC name chemrof:IUPAC_name (E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethylamine
Molecular formula chemrof:molecular_formula C21H25N
Molecular mass chemrof:molecular_mass 291.438
Monoisotopic mass chemrof:monoisotopic_mass 291.1987
SMILES string chemrof:smiles_string CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12

Known URLs

47

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=91161-71-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9448 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.119.605 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2023640 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00857 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00857 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2597 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2597 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL822 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G7RIW8S0XP enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014995 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.406.049I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J126.310B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C08079 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D02375 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C08079 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D02375 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43136 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-10571 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C48019 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA451614 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/31CWQ1ANWQ83 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL822 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1549008 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017397 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23750489 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23802806 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23841559 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23895037 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24126579 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24352873 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24389279 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24410098 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24447130 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24452843 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24477462 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24490976 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24497012 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24533442 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24563892 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24576265 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24581620 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24588014 enrich_references.chebi_xrefs
reaxys reaxys:4256376 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/37801 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q415259 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Terbinafine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
26e6d464-ca41-4d16-ad09-12d7633b2fcc Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ad4cdc2b-5a4c-4968-a4fe-00f90757ae8e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f23d2381-857d-4941-9099-8422db6e8c6a Environmental → Air → Indoor EF 3.1 kg 2
a810d353-0da6-4c94-bafa-04877dae12e5 Environmental → Air → Long-term EF 3.1 kg 0
bb354792-4874-4ae3-ae90-4f5317fbab69 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d6135e6f-b0ce-4678-a42e-084b4d50753b Environmental → Air → Unknown EF 3.1 kg 2
1915e972-e88c-47a3-8761-0cfb744c7310 Environmental → Ground → Agricultural EF 3.1 kg 2
7bad406e-4c97-44e4-833c-0b8b0ba9b8a2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
984dc160-d189-4dba-b0cc-bb3b840d61e0 Environmental → Ground → Unknown EF 3.1 kg 2
c7b49efd-ddb3-45dc-81fb-890cc5c4d103 Environmental → Water → Long-term EF 3.1 kg 0
a2029c63-a18a-4fa5-aabc-ce42c065e316 Environmental → Water → Ocean EF 3.1 kg 2
c0193d60-0bd9-4410-80b9-2ffb4b2a4ec2 Environmental → Water → Surface water EF 3.1 kg 2
060b6cf5-a21d-4639-9ae4-ef5c432838f2 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 
{
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      "@value": "(2e)-n,6,6-trimethyl-n-(1-naphthylmethyl)hept-2-en-4-yn-1-amine",
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    {
      "@value": "Eksifine",
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    {
      "@value": "Fungoterbin",
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    },
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    },
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      "@value": "SF 86-327",
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    },
    {
      "@value": "Tebina",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
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      "@value": "terbinafina",
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    },
    {
      "@value": "terbinafinum",
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    },
    {
      "@value": "Terbinol",
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    },
    {
      "@value": "Terbisil",
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