Consensus flow list

Quinacridone

fo-a0e2ab3c157f0ec6

Identity

Type
Neutral molecule
CAS
1047-16-1
EC
213-879-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Quinacridone

Alternative labels

82

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NRCMAYZCPIVABH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24)
IUPAC name chemrof:IUPAC_name 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Molecular formula chemrof:molecular_formula C20H12N2O2
Molecular mass chemrof:molecular_mass 312.328
Monoisotopic mass chemrof:monoisotopic_mass 312.089878, 312.08988
SMILES string chemrof:smiles_string O=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12

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=1047-16-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:174977 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.618 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.13369.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5027354 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=316165 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/11P487375P enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034058 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=3204.17.90.35 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.584G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46341 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13976 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26706191 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q418071 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Quinacridone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e5fadd8d-ae65-462a-9bf5-3a8a4ba6b585 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7a743b9d-fe65-4bfe-9298-2b1047b82282 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7a087450-631f-4c9e-ae36-88c120ae677a Environmental → Air → Indoor EF 3.1 kg 4
54d5ebe4-2316-459a-81a4-9ab13bae9a0e Environmental → Air → Long-term EF 3.1 kg 0
4053f562-95ce-467c-9ed9-9720a4b237c1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9bcc4cd5-fe4f-4d6c-a42b-ae62089a5668 Environmental → Air → Unknown EF 3.1 kg 4
6128b376-f227-4e99-8177-372c5c68176a Environmental → Ground → Agricultural EF 3.1 kg 4
48064ae3-4f1b-4cbf-b1fa-305907498900 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3f660008-cde1-4c1d-9676-fbe41e5c4f82 Environmental → Ground → Unknown EF 3.1 kg 4
71a0eb5d-91b2-414d-be70-f69b9dd27d68 Environmental → Water → Long-term EF 3.1 kg 0
ea6e951e-56a1-4725-bb83-ef10677c0e2f Environmental → Water → Ocean EF 3.1 kg 4
fa2b3264-bc2b-490e-bae0-d4d8892bdabf Environmental → Water → Surface water EF 3.1 kg 4
03396d3f-1783-408a-b0c8-df99e7b030c9 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  "altLabel": [
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      "@value": "5,12-dihydroquino[2,3-b]acridine-7,14-dione",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    {
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    {
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      "@value": "Fastogen Super Red Violet SR",
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      "@value": "Hostaperm Red Violet ER",
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      "@value": "Hostaperm Red Violet ERX-WD",
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    {
      "@value": "Ink Jet Magenta E 5B02",
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      "@value": "Ink Jet Magenta E 5B02VP2984",
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      "@value": "Ink Jet Magenta ESB",
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      "@value": "Lionogen Magenta FG 5700",
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      "@value": "Lionogen Red 2B",
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      "@value": "Magenta RT 238D",
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      "@value": "Magenta RT 355D",
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      "@value": "Mobay R 6700",
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