Consensus flow list

Sodium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino]methanesulphonate

fo-88e9b1936fb93a68

Identity

Type
Chemical salt
CAS
68-89-3
EC
200-694-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
68 across every transformer

Structure

Structure diagram for Sodium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino]methanesulphonate

Alternative labels

65

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DJGAAPFSPWAYTJ-UHFFFAOYSA-M, UNZIDPIPYUMVPA-UHFFFAOYSA-M, ZPJLEKFUFNLIKA-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C13H17N3O4S.Na/c1-10-12(8-14-9-21(18,19)20)13(17)16(15(10)2)11-6-4-3-5-7-11;/h3-7,14H,8-9H2,1-2H3,(H,18,19,20);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino]methanesulphonate, Sodium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonate
Molecular formula chemrof:molecular_formula C13H16N3NaO4S, C13H16N3O4S.H2O.Na, C13H16N3O4S.Na
SMILES string chemrof:smiles_string Cc1c(CNCS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.[Na+]

Known URLs

33

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=68-89-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32169 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59033 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.631 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020543 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB04817 enrich_references.chebi_xrefs
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL487894 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VSU62Z74ON enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.529G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C13229 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D01762 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D08190 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D08190 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=138651 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C170166 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65435 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA166128206 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/522325 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/15012736 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15137974 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15595715 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15851637 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16752674 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17435797 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21446784 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25776531 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25789542 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3044874 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3425858 enrich_references.chebi_xrefs
reaxys reaxys:3643594 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1537943 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q422761 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Metamizole enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
69377e43-8d56-4642-bdbe-5328791124b6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6fec2c85-0b7f-4a1d-a568-1f1d72762752 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
070b747e-70f0-4be1-9f84-3d81fa40d809 Environmental → Air → Indoor EF 3.1 kg 2
6d212f11-9e9e-4504-8a2f-6ab7b42b3d84 Environmental → Air → Long-term EF 3.1 kg 0
68cddbb1-59cc-4c65-b8ec-433255114dde Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d8f6de19-f5f4-4509-9cf8-eb07974ea0b2 Environmental → Air → Unknown EF 3.1 kg 2
2b546651-aab9-4c12-9b35-68c5755ae707 Environmental → Ground → Agricultural EF 3.1 kg 2
815b99dd-ba24-4f77-abdc-3dff9a529de2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
48371d74-9348-42a0-9c71-bcf05a242f14 Environmental → Ground → Unknown EF 3.1 kg 2
08a747db-83eb-456b-90ac-87fb25c6f216 Environmental → Water → Long-term EF 3.1 kg 0
22dafb72-3404-423e-bf66-6621b8930035 Environmental → Water → Ocean EF 3.1 kg 2
09fe36eb-9d1a-4a10-b143-81806aea259a Environmental → Water → Surface water EF 3.1 kg 2
59124746-685b-4525-b4d9-e14eada54660 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (68 changes)

Open the changes page

Full record

Flow object JSON 
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    {
      "@value": "Conmel",
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    },
    {
      "@value": "Diprofarn",
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    },
    {
      "@value": "Dipyrone",
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    {
      "@value": "dipyrone [anhydrous]",
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    },
    {
      "@value": "Dipyrone monohydrate",
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    },
    {
      "@value": "Gifaril",
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    },
    {
      "@value": "Lisador",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "meamizol sodico",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Metamizol",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Metamizole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=68-89-3"
        ],
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      }
    },
    {
      "@value": "metamizole sodique",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "metamizole sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_59033"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Metamizole sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=68-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "metamizolum natricum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_59033"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Metapyrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=68-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methamizole sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methampyrone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_59033"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Methanesulfonic acid, (antipyrinylmethylamino)-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methanesulfonic acid, 1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methylmelubrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_59033"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Metilon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68-89-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=68-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mexican aspirin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_59033"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Narone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=68-89-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neo-melubrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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