Consensus flow list

2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethyl Ethyl Carbonate

fo-0581e1ed907c84f5

Identity

Type
Neutral molecule
CAS
40530-60-7
EC
254-959-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethyl Ethyl Carbonate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GLVDLLVMSDGVDA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H17NO7/c1-2-25-19(24)27-8-7-26-13-9-12(21)14-15(16(13)20)18(23)11-6-4-3-5-10(11)17(14)22/h3-6,9,21H,2,7-8,20H2,1H3
IUPAC name chemrof:IUPAC_name 2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethyl Ethyl Carbonate
Molecular formula chemrof:molecular_formula C19H17NO7
Molecular mass chemrof:molecular_mass 371.345
Monoisotopic mass chemrof:monoisotopic_mass 371.100502
SMILES string chemrof:smiles_string CCOC(=O)OCCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O

Known URLs

6

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=40530-60-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.049.946 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5068235 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J32.559G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/162415 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81994952 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2724d8ff-811b-45e8-9a8f-2f2cd6cbe9c1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
317223d2-b2d4-4a96-a474-277db580f1a8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9b31531f-9a19-4321-aca8-b74f1aceb102 Environmental → Air → Indoor EF 3.1 kg 2
94aaf090-0ebc-4eca-8fd0-b12650d69d24 Environmental → Air → Long-term EF 3.1 kg 0
05b96bbd-ee0d-42de-bb84-1c3d923dbb62 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
52c2ca9e-4d75-49e9-b7b0-3876910c8ddf Environmental → Air → Unknown EF 3.1 kg 2
5a6dbb2c-fa39-4fac-90cf-50e59bb83050 Environmental → Ground → Agricultural EF 3.1 kg 2
c9e97567-7e8a-4281-883c-afba6c8fa6e1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
438fd7a4-02b3-47a5-94d7-33913b13bb26 Environmental → Ground → Unknown EF 3.1 kg 2
04f666eb-0bf1-42d9-b9a5-c0d6215901b9 Environmental → Water → Long-term EF 3.1 kg 0
718106f5-a62d-40e0-a31a-2eee103db22b Environmental → Water → Ocean EF 3.1 kg 2
c9902db6-ae47-4ec6-b903-bbbf54389ccc Environmental → Water → Surface water EF 3.1 kg 2
7629d629-fe70-49c0-9dba-6ea619745dee Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-0581e1ed907c84f5",
  "prefLabel": [
    {
      "@value": "2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]ethyl Ethyl Carbonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-[(1-Amino-4-hydroxy-2-anthraquinonyl)oxy]ethyl ethyl carbonate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "2-[(1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl ethyl carbonate",
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        ],
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      }
    },
    {
      "@value": "2-[(1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]ethyl ethyl carbonate",
      "@language": "en",
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    },
    {
      "@value": "Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl ethyl ester",
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}

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