Consensus flow list

Identity

Type
Neutral molecule
CAS
81-77-6
EC
201-375-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 6,15-dihydroanthrazine-5,9,14,18-tetrone

Alternative labels

162

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UHOKSCJSTAHBSO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C28H14N2O4/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)9-11-19-23(21)29-20-12-10-18-22(24(20)30-19)28(34)16-8-4-2-6-14(16)26(18)32/h1-12,29-30H
IUPAC name chemrof:IUPAC_name 6,15-dihydroanthrazine-5,9,14,18-tetrone
Molecular formula chemrof:molecular_formula C28H14N2O4
Molecular mass chemrof:molecular_mass 442.43
Monoisotopic mass chemrof:monoisotopic_mass 442.095357
SMILES string chemrof:smiles_string O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12

Known URLs

15

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=81-77-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.251 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.277.564 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.277.603 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2026280 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=47739 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=652900 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL337140 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R68OT0N83K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253449 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.511E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6690 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=015517 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q185929 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Indanthrone_blue enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b3e96747-abcf-4d04-83b2-d5f50a02214f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8f59cce6-da4a-46a3-bdd6-67f353733fa9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bb0962f0-6f3d-4af4-acfd-851fc950ad3b Environmental → Air → Indoor EF 3.1 kg 4
1ee492cf-c316-42a7-b307-d67a05e286ea Environmental → Air → Long-term EF 3.1 kg 0
f152f749-9e71-4eb4-bdc4-25028c9f1c93 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4b1593d4-6119-4568-8410-c5d525ee0cdb Environmental → Air → Unknown EF 3.1 kg 4
b3574e9b-dff9-4603-a6c8-93505f7ae5bc Environmental → Ground → Agricultural EF 3.1 kg 4
0dfa16e4-4256-4005-8b9b-8694f820f9dc Environmental → Ground → Non-agricultural EF 3.1 kg 4
7bd5ac91-38bb-4d9e-9d44-ee60702e9d4b Environmental → Ground → Unknown EF 3.1 kg 4
be3e552f-76fd-40fd-b7be-587c2688a0ba Environmental → Water → Long-term EF 3.1 kg 0
c64a8245-04a3-428c-8835-da6315207225 Environmental → Water → Ocean EF 3.1 kg 4
c7222671-18c8-44b6-986e-5f0c5ffdf9c6 Environmental → Water → Surface water EF 3.1 kg 4
d776f4de-cc34-43a7-bb94-4bce0673ea0e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
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      "@value": "Caledon Paper Blue RN",
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      "@value": "Carbanthrene Blue 2R",
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    {
      "@value": "Carbanthrene Blue RS",
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    },
    {
      "@value": "Carbanthrene Blue RSP",
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      "@value": "Celliton Blue RN",
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    },
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      "@value": "Cibanone Blue FRS",
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      "@value": "Cibanone Blue RS-PT 9860",
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      "@value": "Cibanone Blue RSJ",
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    {
      "@value": "Cibanone Brilliant Blue FR",
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    },
    {
      "@value": "Corimax Blue A 3R",
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    },
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