Consensus flow list

4,11-dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione

fo-f0a8bcfa4cebb81b

Identity

Type
Neutral molecule
CAS
3089-16-5
EC
221-423-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4,11-dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione

Alternative labels

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BFEJTCHFLJECJN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H10Cl2N2O2/c21-13-5-1-3-9-17(13)23-15-8-12-16(7-11(15)19(9)25)24-18-10(20(12)26)4-2-6-14(18)22/h1-8H,(H,23,25)(H,24,26)
IUPAC name chemrof:IUPAC_name 4,11-dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione
Molecular formula chemrof:molecular_formula C20H10Cl2N2O2
Molecular mass chemrof:molecular_mass 381.218
Monoisotopic mass chemrof:monoisotopic_mass 380.01193, 380.011933
SMILES string chemrof:smiles_string O=c1c2cc3[nH]c4c(Cl)cccc4c(=O)c3cc2[nH]c2c(Cl)cccc12

Known URLs

11

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=3089-16-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:178133 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.476 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.68998.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5051993 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8GPA194N0O enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0037810 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J217.257G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47938 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/76529 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27270436 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
61a0bad3-0f7f-4221-ae26-70cd897618e4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0c6d32ab-4586-4b2b-bd60-2f9f05f56566 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
583601d7-90a8-47f8-b64d-c8cec0868a59 Environmental → Air → Indoor EF 3.1 kg 4
93c4a021-a116-4f5f-ad86-4af6a65203c8 Environmental → Air → Long-term EF 3.1 kg 0
efaece96-6645-46fd-9306-57b68d5af0e4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
378caaa4-147c-49c7-8483-9566d4ce0104 Environmental → Air → Unknown EF 3.1 kg 4
7e98d3e1-549b-45bb-b6dd-1bb6395f4a05 Environmental → Ground → Agricultural EF 3.1 kg 4
146da093-8a1c-459e-9b8d-f78be677eac2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e7185523-6470-49af-bce0-66c874fdeb70 Environmental → Ground → Unknown EF 3.1 kg 4
475152ca-69de-49ea-8359-a8e2841f76cc Environmental → Water → Long-term EF 3.1 kg 0
81724418-dec5-4bdf-be64-bea313cd6f8e Environmental → Water → Ocean EF 3.1 kg 4
80315c41-9b85-4e01-bff3-a1c9a66e0cf7 Environmental → Water → Surface water EF 3.1 kg 4
7f0a8d04-b3b5-4825-9ce1-0173968463dc Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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