Consensus flow list

Identity

Type
Neutral molecule
CAS
83524-75-8
EC
280-472-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,9-bis(4-methoxybenzyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LQDAMBYDGRGJGA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C40H26N2O6/c1-47-23-7-3-21(4-8-23)19-41-37(43)29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)20-22-5-9-24(48-2)10-6-22)18-14-28(34(27)36)26-12-16-30(38(41)44)35(29)33(25)26/h3-18H,19-20H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,9-bis(4-methoxybenzyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone
Molecular formula chemrof:molecular_formula C40H26N2O6
Molecular mass chemrof:molecular_mass 630.656
Monoisotopic mass chemrof:monoisotopic_mass 630.179087
SMILES string chemrof:smiles_string COc1ccc(CN2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(Cc2ccc(OC)cc2)C6=O)cc1

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=83524-75-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.073.136 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID001020304 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J213.085H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15123833 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126604383 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c0864a82-510c-4e49-acb9-e4784c6b63ec Environmental → Air → Aircraft cruise height EF 3.1 kg 4
411f92f9-e631-4c08-8145-57439e39c743 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2a23b8ab-7d43-4d04-a1ca-497893fd2f77 Environmental → Air → Indoor EF 3.1 kg 4
13eac57d-816d-4f4b-af5a-16874f627045 Environmental → Air → Long-term EF 3.1 kg 0
a125385f-2e70-4ccc-bc87-15af2e9de81d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2ec5ce8b-3d0e-4689-b0d9-043c23caf6c3 Environmental → Air → Unknown EF 3.1 kg 4
14922198-db9c-46d1-962b-df9bf26b2f8a Environmental → Ground → Agricultural EF 3.1 kg 4
3a91ab94-bde0-4c7c-8c85-66f91b595208 Environmental → Ground → Non-agricultural EF 3.1 kg 4
dbb909f0-b232-4724-9f44-351b615dd04b Environmental → Ground → Unknown EF 3.1 kg 4
5aab72e9-92b8-43f7-9d52-b498ae6aff49 Environmental → Water → Long-term EF 3.1 kg 0
54f9613f-d60c-4cbe-a3c4-21ea75019760 Environmental → Water → Ocean EF 3.1 kg 4
b9c74763-50a8-4099-a21f-9996d3489f43 Environmental → Water → Surface water EF 3.1 kg 4
b23a4efa-9c57-48cd-b8ce-41b40dd4b007 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3d7ea9759b88d0b8",
  "prefLabel": [
    {
      "@value": "2,9-bis(4-methoxybenzyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone",
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  ],
  "altLabel": [
    {
      "@value": "2,9-Bis(4-methoxybenzyl)anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone",
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    },
    {
      "@value": "2,9-Bis[(4-methoxyphenyl)methyl]anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone",
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  "parent_intervention_id": null,
  "@type": [
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  ]
}

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