Indometacin
fo-ebf643ffcf2089c3
Identity
- Type
- Neutral molecule
- CAS
- 53-86-1
- EC
- 200-186-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
1
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
Alternative labels
89- 1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid
- 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid
- 1-(4-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid
- 1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid
- 1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid
- 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid
- 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid
- 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-
- 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
- 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
- 2-[1-[(4-Chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
- [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
- Aconip
- Amuno
- Argun
- Artracin
- Artrinovo
- Artrivia
- Bonidin
- Bonidon Gel
- Catlep
- Chibro-Amuno
- Chrono-Indicid
- Chrono-Indocid 75
- Confortid
- Dolcidium
- Dolcidium PL
- Dolovin
- Durametacin
- Elmetacin
- Endol
- Flam
- Globa
- Idomethine
- Imbrilon
- IMC
- Inacid
- Indacin
- Indo-Phlogont
- Indo-Rectolmin
- Indo-Tablinen
- Indocid
- Indocid (pharmaceutical)
- Indocin
- Indocin IV
- Indocine
- Indocollyre
- Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-
- Indomecol
- Indomed
- Indomee
- indometacina
- indometacine
- indometacinum
- Indomethacin
- Indomethacine
- Indomethine
- Indomod
- Indonol
- Indoptic
- Indoptol
- Indorektal
- IndoRich
- Indoxen
- Indren
- Inflazon
- Infrocin
- Innamit
- Inteban
- Inteban SP
- Lausit
- MeSH ID: D007213
- Metacen
- Metartril
- Methazine
- Metindol
- Mezolin
- Microcid
- Mikametan
- Mobilan
- N-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid
- Reumacide
- Rheumacin LA
- Sadoreum
- Tannex
- Vital Vitacid
- Vonum
- {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid
- α-[1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl]acetic acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | CGIGDMFJXJATDK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) |
| IUPAC name chemrof:IUPAC_name | 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid |
| Molecular formula chemrof:molecular_formula | C19H16ClNO4 |
| Molecular mass chemrof:molecular_mass | 357.793 |
| Monoisotopic mass chemrof:monoisotopic_mass | 357.076786, 357.07679 |
| SMILES string chemrof:smiles_string | COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 |
Known URLs
43Where 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 |
|---|---|---|
| beilstein | beilstein:497341 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=53-86-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49662 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.170 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9020740 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00328 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00328 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1440 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1440 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757061 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL6 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:1446006 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XXE1CET956 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0014473 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.368D | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C01926 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00141 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C01926 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00141 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00030512 | enrich_references.chebi_xrefs |
| lincs.smallmolecule | lincs.smallmolecule:LSM-3275 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42712 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-10545 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C576 | enrich_references.pubchem_identifier_url |
| patent | patent:BE379378 | enrich_references.chebi_xrefs |
| patent | patent:US3161654 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:IMN | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA449982 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/AC3D4RL6RU1S | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL6 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3715 | 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=025351 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=028381 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22931205 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23992308 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/28166217 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/5952296 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/6039425 | enrich_references.chebi_xrefs |
| reaxys | reaxys:497341 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/5781 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q409231 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Indometacin | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| eda824b2-8052-48c6-a2f1-99147bbdba45 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 30359884-efbe-4388-badf-f3f9bcd83913 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| ee843887-e06f-43af-bd67-edef100b6c3e | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 63d719ce-b3f1-4933-819e-7a5b0e46bd4b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f210de3c-c5fc-4f3a-bed3-c0c202304368 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 958772c5-5739-4adc-ad55-52bcefccf6fe | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| ceeea685-c69b-4e73-9eaa-59b4b184ec25 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 226f13e3-2756-40fa-82e1-e42d35b8cb58 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| e259a886-d00a-4c1c-bad5-5e57d0e27a86 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| c5a270c1-7160-4b30-b72f-4ce1d4a82975 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| da108581-ef0a-44f6-aadc-ae463c6ba7dd | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 367ccb8b-e847-4cd7-b2b3-49ce7dd20e8b | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| f09e9989-c14b-49a1-b082-ed062a368c23 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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{
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{
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{
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},
{
"@value": "Bonidin",
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},
{
"@value": "Bonidon Gel",
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},
{
"@value": "Catlep",
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},
{
"@value": "Chibro-Amuno",
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},
{
"@value": "Chrono-Indicid",
"@language": "en",
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},
{
"@value": "Chrono-Indocid 75",
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},
{
"@value": "Confortid",
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
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},
{
"@value": "Dolcidium",
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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