Brightway Flows 1.0
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Enrofloxacin

fo-534982178d22b2c9

Identity

Type
Neutral molecule
CAS
93106-60-6
EC
618-911-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Enrofloxacin

Alternative labels

25

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SPFYMRJSYKOXGV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
IUPAC name chemrof:IUPAC_name 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Molecular formula chemrof:molecular_formula C19H22FN3O3
Molecular mass chemrof:molecular_mass 359.401
Monoisotopic mass chemrof:monoisotopic_mass 359.16452
SMILES string chemrof:smiles_string CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1

Known URLs

32

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=93106-60-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35720 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.131.355 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1045619 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11404 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1017 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/5532 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758616 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15511 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3DX3XEK1BN enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0029861 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.104J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D02473 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D02473 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-3709 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44088 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C72660 enrich_references.pubchem_identifier_url
patent patent:KR20130080422 enrich_references.chebi_xrefs
patent patent:RU2491922 enrich_references.chebi_xrefs
patent patent:US4659603 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/71188 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=008322 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/15967281 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19376344 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24380725 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26963935 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8828132 enrich_references.chebi_xrefs
reaxys reaxys:5307824 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/24192 enrich_references.pubchem_identifier_url
vsdb vsdb:1762 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q414413 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Enrofloxacin enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
ff9ce681-cc4d-4c04-8d8b-fc6d4cea5777 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
50782654-b0c1-4ae5-97fa-75c0d097a361 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
154b9f99-94af-4cf7-8b8c-3e99d677f321 Environmental → Air → Indoor EF 3.1 kg 2
e7724fb1-b56b-4e6d-bd05-de73560e0c21 Environmental → Air → Long-term EF 3.1 kg 0
d76559d7-4a43-485f-b157-7236600fa90f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d1a8931c-1ca3-47b9-abe7-df794fac6b83 Environmental → Air → Unknown EF 3.1 kg 2
30cde276-4252-430e-85cf-049f9cc13aba Environmental → Ground → Agricultural EF 3.1 kg 2
f3d54c07-861f-424e-9157-768eaa6d5348 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4dbd8174-a1bb-4261-9dd5-b9804c5fd745 Environmental → Ground → Unknown EF 3.1 kg 2
dcae5105-5a76-44a3-88fd-e473b2176664 Environmental → Water → Long-term EF 3.1 kg 0
ff9fd89b-83f8-4723-a360-a42b4c9f9ee7 Environmental → Water → Ocean EF 3.1 kg 2
1c221f65-429d-4512-a951-e791cc272961 Environmental → Water → Surface water EF 3.1 kg 2
90401290-8470-4e3c-ac4b-7abab50ec4d8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-534982178d22b2c9",
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    {
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  "altLabel": [
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    },
    {
      "@value": "1-Cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid",
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    },
    {
      "@value": "3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-",
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      "@value": "Alsir",
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    },
    {
      "@value": "BAY-Vp 2674",
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      "@value": "Bayrocin",
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    },
    {
      "@value": "Baytril",
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      }
    },
    {
      "@value": "Biofloxavet",
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    },
    {
      "@value": "CFPQ",
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        ],
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      }
    },
    {
      "@value": "Enflocyna Sol",
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        ],
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      }
    },
    {
      "@value": "Enrocin",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Enrodac",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Enrofan",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Enroflon",
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      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Enrogil",
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      "@lang": "en",
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        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=93106-60-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Enrovet",
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Enroxil",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fortius",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Ethyl ciprofloxacin",
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    {
      "@value": "N-Ethylciprofloxacin",
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        ],
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      }
    },
    {
      "@value": "N′-Ethylciprofloxacin",
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    },
    {
      "@value": "PD 160788",
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  "properties": {
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