Diftalone
fo-8a8ddd6433d12a78
Identity
- Type
- Neutral molecule
- CAS
- 21626-89-1
- EC
- 244-484-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
2- Aladione
- Phthalazino[2,3-b]phthalazine-5,12(7H,14H)-dione
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | CXSJGNHRBWJXEA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H12N2O2/c19-15-13-7-3-1-5-11(13)9-17-16(20)14-8-4-2-6-12(14)10-18(15)17/h1-8H,9-10H2 |
| IUPAC name chemrof:IUPAC_name | Phthalazino[2,3-b]phthalazine-5,12(7H,14H)-dione |
| Molecular formula chemrof:molecular_formula | C16H12N2O2 |
| Molecular mass chemrof:molecular_mass | 264.284 |
| Monoisotopic mass chemrof:monoisotopic_mass | 264.089878 |
| SMILES string chemrof:smiles_string | O=C1c2ccccc2CN2C(=O)c3ccccc3CN12 |
Known URLs
13Where 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=21626-89-1 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.040.426 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3020469 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB19583 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1536675 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/142FG4G74X | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0251272 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.254B | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D03817 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=155644 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C166457 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/30717 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27251567 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3e4cb450-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ef5-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 215deb29-377f-446f-9417-29e3fe5e9edb | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ef4-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8ef6-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ef3-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ef1-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8efa-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ef2-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ef8-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9e44-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-8ef7-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 273b979cb02dccb37a94632d2617a019c4ea5aaa | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-8ef9-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
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}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works