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Tricaine methanesulfonate

fo-58924de5b3cb081f

Identity

Type
Chemical salt
CAS
886-86-2
EC
212-956-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Tricaine methanesulfonate

Alternative labels

20

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FQZJYWMRQDKBQN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H11NO2.CH4O3S/c1-2-12-9(11)7-4-3-5-8(10)6-7;1-5(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4)
IUPAC name chemrof:IUPAC_name 3-(ethoxycarbonyl)anilinium methanesulfonate
Molecular formula chemrof:molecular_formula C10H15NO5S, C9H11NO2.CH4O3S
Molecular mass chemrof:molecular_mass 261.299
Monoisotopic mass chemrof:monoisotopic_mass 261.06709, 261.067094
SMILES string chemrof:smiles_string CCOC(=O)c1cccc([NH3+])c1.CS(=O)(=O)[O-]

Known URLs

17

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=886-86-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:131331 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.779 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6022133 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=93790 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184210 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/971ZM8IPK1 enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D08632 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D08632 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C219494 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/261501 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/26603557 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26845304 enrich_references.chebi_xrefs
reaxys reaxys:3775022 enrich_references.chebi_xrefs
vsdb vsdb:1844 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q3533237 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tricaine_mesylate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
fd554cb6-8aa5-4bd9-9629-bcbcc7b18d35 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
81a470a0-b4bd-4a01-8602-1526e6e2dc45 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
21bdeac8-ac05-4961-941a-a03bb42cf456 Environmental → Air → Indoor EF 3.1 kg 2
df8def63-a598-41e0-9856-1a9368304b00 Environmental → Air → Long-term EF 3.1 kg 0
3c9a6602-a310-4576-8b0c-25d42d5cef0e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4fff21c9-6e3f-4f88-bc31-92e24fbc6b67 Environmental → Air → Unknown EF 3.1 kg 2
63f6ad74-b994-42bc-8483-7d40adecc9b0 Environmental → Ground → Agricultural EF 3.1 kg 2
fc3f574b-3adf-405a-947d-8930365330a4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
05a7f421-583e-498e-ae72-9c1e9e8feda9 Environmental → Ground → Unknown EF 3.1 kg 2
973598da-fbca-4272-99dd-1caffee18113 Environmental → Water → Long-term EF 3.1 kg 0
159df011-c749-45b2-80f4-e65c7d8a42fb Environmental → Water → Ocean EF 3.1 kg 2
8e3c403f-5198-4a9b-bdb3-0d670b87f34f Environmental → Water → Surface water EF 3.1 kg 2
98c8de31-c90a-4166-bdc1-1fb056fe7667 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-58924de5b3cb081f",
  "prefLabel": [
    {
      "@value": "Tricaine methanesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-(ethoxycarbonyl)anilinium methanesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Aminobenzoic acid ethyl ester methanesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-ethoxycarbonylanilinium Methanesulphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Benzoic acid, 3-amino-, ethyl ester, methanesulfonate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 3-amino-, ethyl ester, methanesulfonate (1:1)",
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      }
    },
    {
      "@value": "Benzoic acid, m-amino-, ethyl ester, methanesulfonate",
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      "provenance": {
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      }
    },
    {
      "@value": "Ethyl 3-aminobenzoate methanesulfonate",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl m-aminobenzoate methane sulfonate",
      "@language": "en",
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      }
    },
    {
      "@value": "Ethyl m-aminobenzoate methanesulfonate",
      "@language": "en",
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    },
    {
      "@value": "Ethyl m-aminobenzoate, methanesulfonic acid salt",
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    },
    {
      "@value": "Finquel",
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        ],
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      }
    },
    {
      "@value": "Metacain",
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      }
    },
    {
      "@value": "Metacaine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "metacaine mesylate",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "metacaine methanesulfonate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "methanesulfonic acid--ethyl 3-aminobenzoate (1/1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Tricaine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tricaine mesilate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "tricaine mesylate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tricaine methane sulfonate",
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  "properties": {
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        "C10H15NO5S",
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        "C10H15NO5S": [
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    },
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