Consensus flow list

Identity

Type
Neutral molecule
CAS
83-89-6
EC
201-508-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Mepacrine

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GPKJTRJOBQGKQK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
IUPAC name chemrof:IUPAC_name 3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine
Molecular formula chemrof:molecular_formula C23H30ClN3O
Molecular mass chemrof:molecular_mass 399.966
Monoisotopic mass chemrof:monoisotopic_mass 399.20774
SMILES string chemrof:smiles_string CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12

Known URLs

35

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
beilstein beilstein:497807 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=83-89-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8711 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.637 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.371 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7022627 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01103 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01103 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2338 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2338 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL7568 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H0C805XYDE enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015235 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.877F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07339 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D08179 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07339 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D08179 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-1577 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=145826 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=ATABRINE enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C67059 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C87656 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA164745551 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/YNBYCUC8A8TY enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL7568 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/237 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=002327 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11339632 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11908878 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19747949 enrich_references.chebi_xrefs
reaxys reaxys:95500 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q417208 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Mepacrine enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Quinacrine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
9ca9fea3-6e8c-4818-a0d6-638f695513e0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
97ca0282-034b-446e-8c2e-0f1525070bd8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
658dfff1-1931-4f14-be58-d954484080aa Environmental → Air → Indoor EF 3.1 kg 2
71ea2778-ac01-4b57-bf17-7982895949fb Environmental → Air → Long-term EF 3.1 kg 0
2d10526d-64ff-4471-a9f1-f0360281a37d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6d1ae917-c3ec-4e8b-a6ff-fb492077544d Environmental → Air → Unknown EF 3.1 kg 2
f1565f07-6e66-4685-bcf6-cb276b6527c7 Environmental → Ground → Agricultural EF 3.1 kg 2
68180c2e-7351-41fb-8cec-ec4833cce1a7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ad747a6e-ffe3-409c-9a7f-f8d8b4c83266 Environmental → Ground → Unknown EF 3.1 kg 2
9ba9cc8a-3995-4ef1-bc9b-8c89bc7ed587 Environmental → Water → Long-term EF 3.1 kg 0
3f1c48da-5acf-4259-b4d9-514a3bf7ba11 Environmental → Water → Ocean EF 3.1 kg 2
04264b6b-fd52-44f3-b593-c1742ce378fd Environmental → Water → Surface water EF 3.1 kg 2
463118be-2699-4897-a04e-b374dfa8f7bf 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-05836833c2719443",
  "prefLabel": [
    {
      "@value": "Mepacrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-Quinacrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-methoxy-6-chloro-9-diethylaminopentylaminoacridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_8711"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_8711"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_8711"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_8711"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6-Chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxyacridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acrichin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acrinamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acriquine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Akrichin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Antimalarina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Atabrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Haffkinine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Italchine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D011796",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N(4)-(6-chloro-2-methoxy-9-acridinyl)-N(1),N(1)-diethyl-1,4-pentanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_8711"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N4-(6-Chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-1,4-pentanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:83-89-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N4-(6-Chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine",
      "@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=83-89-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quinacrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C23H30ClN3O"
      ],
      "attested_by": {
        "C23H30ClN3O": [
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          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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        {
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)"
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      "provenance": [
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          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GPKJTRJOBQGKQK-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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          "prov:wasGeneratedBy": "rdkit_post_consensus",
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    },
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