Actarit
fo-fabeddc928f5cf94
Identity
- Type
- Neutral molecule
- CAS
- 18699-02-0
- EC
- 242-511-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
10- (4-Acetamidophenyl)acetic acid
- 2-(4-Acetamidophenyl)acetic acid
- 4-(Acetylamino)benzeneacetic acid
- 4-(Acetylamino)phenylacetic acid
- 4-(N-Acetylamino)phenylacetic acid
- 4-acetamidophenylacetic Acid
- Acetic acid, (p-acetamidophenyl)-
- Benzeneacetic acid, 4-(acetylamino)-
- Orcl (TN)
- p-Acetamidophenylacetic acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MROJXXOCABQVEF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14) |
| IUPAC name chemrof:IUPAC_name | p-Acetamidophenylacetic acid |
| Molecular formula chemrof:molecular_formula | C10H11NO3 |
| Molecular mass chemrof:molecular_mass | 193.202 |
| Monoisotopic mass chemrof:monoisotopic_mass | 193.07389, 193.073893 |
| SMILES string chemrof:smiles_string | CC(=O)Nc1ccc(CC(=O)O)cc1 |
Known URLs
19Where 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=18699-02-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31173 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.038.631 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0020020 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB20776 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:84 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/84 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=170317 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1885632 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HW5B6351RZ | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0247976 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J70.929H | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D01395 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/D01395 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-5475 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C73298 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/2018 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q4676759 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Actarit | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 97a7104f-1d2a-426b-bfa4-7605497470db | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| f675286a-26bf-4081-a90a-413e4bf052b2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| b01c1cb0-c15f-4e90-a965-e88260665344 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| c0887e54-f6f7-49c0-8ae9-f4e8c464ba58 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4ae175a8-7780-4409-9a8e-15674aeb763f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| d75b5f25-8555-42a1-b756-e6221389ea43 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 4d517527-f161-4843-af64-95b767ad8657 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| ee09f5f2-ab24-42e3-a342-91195c77d1ac | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 2c61db5d-8b43-4ccf-b2e5-7fd5d1fc4ea0 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 882c79dc-c37e-4c54-ad27-bde33fccec06 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 0f8d3292-c808-42aa-8cf1-271e39815713 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 024c115d-ecea-434a-8c4f-d6b4163dc080 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 36899d75-1e99-482d-88e7-85da8715f546 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (58 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