Metacetamol
fo-ea263917987f67af
Identity
- Type
- Neutral molecule
- CAS
- 621-42-1
- EC
- 210-687-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
18- 3-(acetylamino)-1-hydroxybenzene
- 3-(acetylamino)phenol
- 3-acetamidophenol
- 3-hydroxyacetanilide
- 3′-Hydroxyacetanilide
- Acetamide, N-(3-hydroxyphenyl)-
- Acetanilide, 3′-hydroxy-
- m-(acetylamino)phenol
- m-acetamidophenol
- m-hydroxyacetanilide
- metacetamolum
- Metalid
- N-(3-hydroxyphenyl)acetamide
- N-Acetyl-3-hydroxyaniline
- N-acetyl-m-aminophenol
- Pedituss
- Pyrapap
- Rystal
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | QLNWXBAGRTUKKI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10) |
| IUPAC name chemrof:IUPAC_name | 3-(acetylamino)-1-hydroxybenzene |
| Molecular formula chemrof:molecular_formula | C8H9NO2 |
| Molecular mass chemrof:molecular_mass | 151.165 |
| Monoisotopic mass chemrof:monoisotopic_mass | 151.063329, 151.06333 |
| SMILES string chemrof:smiles_string | CC(=O)Nc1cccc(O)c1 |
Known URLs
22Where 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=621-42-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76987 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.009.717 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3022089 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB21287 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3990 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755827 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL9419 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V942ZCN81H | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245795 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.832B | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-19995 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143558 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C81395 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12124 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2811 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=022705 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10892726 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24038040 | enrich_references.chebi_xrefs |
| reaxys | reaxys:907998 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27146503 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Metacetamol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6bb00e92-233b-4d56-9fc5-f8bac386a181 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 99cbb6bf-7cd3-40b5-8ce7-125689e55899 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 103f900a-1c80-4790-9161-75d61af7f249 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 1d7c8c47-99c8-41b8-836d-59c57ebfc98f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f7c0ce89-1a38-47ea-a1c0-b98556124373 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 5d439112-6046-4d2c-b64a-bdf62afdc5cd | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 3d06f0c1-97b9-4197-859a-0c9a35faeb04 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 9ea68662-21dd-4e3b-a56d-c62c476baf55 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| a1e47d42-ad34-4300-a8d7-eb93e0c79795 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 25b4c76e-58a2-449b-a959-14fd56497077 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| febd972b-366a-4da4-bf5a-6b626efa2ef4 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 19d0e754-784f-4ec2-bca1-1f2f7fc9382a | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 14dc925f-0025-43e9-b0c4-953ec49c0c38 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 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