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(+-)-Quinacrine

UUID 3f1c48da-5acf-4259-b4d9-514a3bf7ba11
Flow Object IDfo-05836833c2719443
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 83-89-6
EC Numbers 201-508-7
prefLabel
Language Value Provenance
en (+-)-Quinacrine
altLabel ⓘ
Language Value Provenance
en 2-methoxy-6-chloro-9-diethylaminopentylaminoacridine
en 3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine
en 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
en 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine
en N(4)-(6-chloro-2-methoxy-9-acridinyl)-N(1),N(1)-diethyl-1,4-pentanediamine
en Quinacrine
en (±)-Quinacrine
en 1,4-Pentanediamine, <em>N</em><sup>4</sup>-(6-chloro-2-methoxy-9-acridinyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-diethyl-
en 6-Chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxyacridine
en <em>N</em><sup>4</sup>-(6-Chloro-2-methoxy-9-acridinyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-diethyl-1,4-pentanediamine
en Acrichin
en Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-
en Acrinamine
en Acriquine
en Akrichin
en Antimalarina
en Atabrine
en Haffkinine
en Italchine
en MeSH ID: D011796
en N4-(6-Chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine
en ST 439
en Mepacrine
Definitions
Language Value Provenance
en A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey GPKJTRJOBQGKQK-UHFFFAOYSA-N
InChI 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 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine, 4-[(6-chloro-2-methoxy-acridin-9-yl)amino]pentyl-diethyl-amine, N4-(6-chloranyl-2-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethylpentane-1,4-diamine, N4-(6-chloro-2-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine
Molecular formula C23H30ClN3O
Molecular mass 399.966
Monoisotopic mass 399.20774
SMILES CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC, CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 3f1c48da-5acf-4259-b4d9-514a3bf7ba11 mepacrine

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 mepacrine Emissions/Emissions to water/Emissions to sea water kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=mepacrine||dimension=Environmental > media=Water > water_body=Surface water; cas=83-89-6; added Common Chemistry CAS names as altLabel: (±)-Quinacrine, 1,4-Pentanediamine, <em>N</em><sup>4</sup>-(6-chloro-2-methoxy-9-acridinyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-diethyl-, 6-Chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxyacridine, <em>N</em><sup>4</sup>-(6-Chloro-2-methoxy-9-acridinyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-diethyl-1,4-pentanediamine, Acrichin, Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-, Acrinamine, Acriquine, Akrichin, Antimalarina, Atabrine, Haffkinine, Italchine, MeSH ID: D011796, N4-(6-Chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine, ST 439; object_uuid=fo-05836833c2719443
cas_match_labels 1 — consensus_match group_key=mepacrine||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'83-89-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-05836833c2719443: {'83-89-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-methoxy-6-chloro-9-diethylaminopentylaminoacridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methoxy-6-chloro-9-diethylaminopentylaminoacridine', 'http://purl.obolibrary.org/obo/CHEBI_8711', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine', 'http://purl.obolibrary.org/obo/CHEBI_8711', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine', 'http://purl.obolibrary.org/obo/CHEBI_8711', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine', 'http://purl.obolibrary.org/obo/CHEBI_8711', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N(4)-(6-chloro-2-methoxy-9-acridinyl)-N(1),N(1)-diethyl-1,4-pentanediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N(4)-(6-chloro-2-methoxy-9-acridinyl)-N(1),N(1)-diethyl-1,4-pentanediamine', 'http://purl.obolibrary.org/obo/CHEBI_8711', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Quinacrine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Quinacrine', 'http://purl.obolibrary.org/obo/CHEBI_8711', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-methoxy-6-chloro-9-diethylaminopentylaminoacridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methoxy-6-chloro-9-diethylaminopentylaminoacridine', 'http://purl.obolibrary.org/obo/CHEBI_8711', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine', 'http://purl.obolibrary.org/obo/CHEBI_8711', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine', 'http://purl.obolibrary.org/obo/CHEBI_8711', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine', 'http://purl.obolibrary.org/obo/CHEBI_8711', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N(4)-(6-chloro-2-methoxy-9-acridinyl)-N(1),N(1)-diethyl-1,4-pentanediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N(4)-(6-chloro-2-methoxy-9-acridinyl)-N(1),N(1)-diethyl-1,4-pentanediamine', 'http://purl.obolibrary.org/obo/CHEBI_8711', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Quinacrine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Quinacrine', 'http://purl.obolibrary.org/obo/CHEBI_8711', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-Quinacrine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Pentanediamine, <em>N</em><sup>4</sup>-(6-chloro-2-methoxy-9-acridinyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-diethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6-Chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxyacridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em><sup>4</sup>-(6-Chloro-2-methoxy-9-acridinyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-diethyl-1,4-pentanediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acrichin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', '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', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acrinamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acriquine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Akrichin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Antimalarina', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Atabrine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Haffkinine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Italchine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D011796', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', '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', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ST 439', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:83-89-6', 'https://commonchemistry.cas.org/detail?cas_rn=83-89-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=mepacrine||dimension=Environmental > media=Water > water_body=Surface water; cas=83-89-6; added Common Chemistry CAS names as altLabel: (±)-Quinacrine, 1,4-Pentanediamine, <em>N</em><sup>4</sup>-(6-chloro-2-methoxy-9-acridinyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-diethyl-, 6-Chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxyacridine, <em>N</em><sup>4</sup>-(6-Chloro-2-methoxy-9-acridinyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-diethyl-1,4-pentanediamine, Acrichin, Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-, Acrinamine, Acriquine, Akrichin, Antimalarina, Atabrine, Haffkinine, Italchine, MeSH ID: D011796, N4-(6-Chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine, ST 439; object_uuid=fo-05836833c2719443
cas_match_labels None {'83-89-6': 'exactMatch'} group_key=mepacrine||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'83-89-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-05836833c2719443: {'83-89-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "3f1c48da-5acf-4259-b4d9-514a3bf7ba11",
  "name": null,
  "cas_numbers": [
    "83-89-6"
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  "ec_numbers": [
    "201-508-7"
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  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 2.3452e-6
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 2.3452e-6
    }
  ],
  "source": "EF 3.1",
  "identifier": "3f1c48da-5acf-4259-b4d9-514a3bf7ba11",
  "input_datasets": [
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      "source_flow_name": "mepacrine",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
          "Emissions to sea water"
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  "properties": {
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      "rdfs:label": "Molecular formula",
      "provenance": [
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "provenance": [
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      ],
      "rdfs:label": "InChI",
      "provenance": [
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