Ibuprofen

Type: Neutral molecule
CAS: 15687-27-1
EC: 239-784-6
Origin: EF 3.1 hybrid_name_cas_v1
Changes: 57 across every transformer
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
(+-)-2-(p-isobutylphenyl)propionic acid
(+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid
(+-)-ibuprofen
(+-)-p-isobutylhydratropic acid
(4-isobutylphenyl)-alpha-methylacetic acid
(4-Isobutylphenyl)-α-methylacetic acid
(RS)-ibuprofen
(±)-2-(p-Isobutylphenyl)propionic acid
(±)-Ibuprofen
(±)-Ibuprophen
(±)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid
2-(4-isobutylphenyl)propanoic acid
2-(4′-Isobutylphenyl)propionic acid
2-(p-Isobutylphenyl)propionic acid
2-[4-(2-methylpropyl)phenyl]propanoic acid
4-Isobutyl-α-methylphenylacetic acid
4-isobutylhydratropic acid
Actiprofen
Actron Ibuprofen
Adran
Advil
Alaxan
Algi-Flanderil
Algiflex
Algofen
alpha-(4-isobutylphenyl)propionic acid
alpha-(p-isobutylphenyl)propionic acid
Am-Fam 400
Amibufen
Anafen
Anco
Andran
Anflagen
Antarene
Antiflam
Apo-Ibuprofen
Apsifen
Artofen
Artril
Balkaprofen
Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-
Betaprofen
Bloom
Bluton
Bonifen
Boosten
Brofen
Brufanic
Brufen
Brufen Retard
Bruflam
Brufort
Brustan-N
Buburone
Buluofen
Buprol
Burana
Butacortelone
Butylenin
Caldolor
Carol
Cetafen Plus
Cobo
Codral Period Pain
Dansida
Deep relief
Dentigoa
Dibufen
Diverin
dl-Ibuprofen
Dolgin
Dolgirid
Dolgit
Dolmaral
Dolo-Dolgit
Dolocyl
Dolofen
Dolofen F
Dolomax
Donjust B
Doretrim
Dorival
Drin
Easifon
Ebufac
Emflam
Epobron
Espen
Femadon
Fenbid
Fenspan
Flarin
Genafen
Gofen
Gynofug
Haltran
Hydratropic acid, p-isobutyl-
Ibosure
Ibren
Ibu-Attritin
Ibu-slow
Ibu-Tab
Ibubel
Ibuberofen
Ibudex
Ibufen
Ibuflam
Ibuflamar
Ibuflamol
Ibufug
Ibugen
Ibugesic
IbuHexal
Ibuleve
Ibulgan
Ibumetin
Ibupirac
Ibupril
Ibuprocin
Ibuprofen Belupo
Ibuprohm
Ibusal
Ibutad
Ibutid
Ifen
Inabrin
Inflam
Inoven
Inza
Ipren
Iprogel
Irfen
Isodol
Juilifen
Lamidon
Lebrufen
Librofem
Lidifen
Liptan
Lopane
Medipren
Medprofen
Mensoton
MeSH ID: D007052
Moment
MomentAct
Motrin
Motrin IB
Multifen
Mynosedin
Nagifen-D
Napacetin
Nobafon
Nobfelon
Nobfen
Nobgen
Noritis
Norton
Novogent
Novoprofen
Nuprin
Nureflex
Nurofen
Omafen
Optifen
Opturem
Ostarin
Ostofen
p-Isobutyl-2-phenylpropionic acid
p-Isobutylhydratropic acid
Paduden
Panafen
Pantrop
Paucofen
Paxofen
Pedea
Pediaprofen
Pedifen
Perofen
Proartinal
Profen
Proflex
Prontalgin
Proris
Provil
Provon
Quadrax
Rafen
Ranofen
Recidol
Relcofen
Roidenin
Rufen
Rufin
Rupan
Seclodin
Spedifen Zambon
Stelar
Stelar (pharmaceutical)
Suspren
Syntofene
Tabalon
Tarein
Tatanal
Tofen
Trendar
Unipron
Upfen
Uprofen
Urem
Zafen
Zofen
α-(4-Isobutylphenyl)propionic acid
α-Methyl-4-(2-methylpropyl)benzeneacetic acid
Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	HEFNNWSXXWATRW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
IUPAC name chemrof:IUPAC_name	Ibuprofen
Molecular formula chemrof:molecular_formula	C13H18O2
Molecular mass chemrof:molecular_mass	206.285
Monoisotopic mass chemrof:monoisotopic_mass	206.13068
SMILES string chemrof:smiles_string	CC(C)Cc1ccc(C(C)C(=O)O)cc1
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=15687-27-1	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5855	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.036.152	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5020732	enrich_references.pubchem_identifier_url
DrugBank	https://go.drugbank.com/drugs/DB01050	enrich_references.chebi_xrefs
drugbank.ca	https://www.drugbank.ca/drugs/DB01050	enrich_references.pubchem_identifier_url
drugcentral	drugcentral:1407	enrich_references.chebi_xrefs
drugcentral.org	https://drugcentral.org/drugcard/1407	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=256857	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757073	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL521	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WK2XYI10QM	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0001925	enrich_references.chebi_xrefs
hts.usitc.gov	https://hts.usitc.gov/search?query=2916.39.15.00	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.134H	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C01588	enrich_references.chebi_xrefs
KEGG	https://www.genome.jp/entry/D00126	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C01588	enrich_references.pubchem_identifier_url
kegg.jp	https://www.kegg.jp/entry/D00126	enrich_references.pubchem_identifier_url
lincs.smallmolecule	lincs.smallmolecule:LSM-1354	enrich_references.chebi_xrefs
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=141986	enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C561	enrich_references.pubchem_identifier_url
patent	patent:GB971700	enrich_references.chebi_xrefs
patent	patent:US3228831	enrich_references.chebi_xrefs
patent	patent:US3385886	enrich_references.chebi_xrefs
patent	patent:US5215755	enrich_references.chebi_xrefs
patent	patent:US6727286	enrich_references.chebi_xrefs
pharmgkb.org	https://www.pharmgkb.org/chemical/PA449957	enrich_references.pubchem_identifier_url
pharos.nih.gov	https://pharos.nih.gov/ligands/JSNCQPWTHATF	enrich_references.pubchem_identifier_url
platform.opentargets.org	https://platform.opentargets.org/drug/CHEMBL521	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/3672	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=025464	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/11433218	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/12723739	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/14562167	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/15506544	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/16176022	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/18335846	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/18697608	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/21368281	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24168233	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/25521617	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/25708941	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/25915907	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/29756342	enrich_references.chebi_xrefs
reaxys	reaxys:2049713	enrich_references.chebi_xrefs
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/5640	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q186969	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Ibuprofen	enrich_references.chebi_xrefs
Flow	Context	Source	Unit	CFs
01b19d4e-cb7d-4413-9daf-f21397847317	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
3ac09ded-54c4-436f-82ac-e8a640f5a9e5	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c1ec43ba-4b0b-4d41-ac60-7f53a491ca20	Environmental → Air → Indoor	EF 3.1	kg	2
da1821bf-150f-434c-b06d-7a5fd16b5a68	Environmental → Air → Long-term	EF 3.1	kg	0
0457059b-425e-477b-885e-02cf811ee1ad	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
8cd257c5-ae69-4c0c-b4a7-eab5ff88984b	Environmental → Air → Unknown	EF 3.1	kg	2
7072c641-bc24-4a46-84fa-8ff3e4408f39	Environmental → Ground → Agricultural	EF 3.1	kg	2
e412ef00-13b9-4e88-ab08-3e3a7a399007	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
66a76baf-61f0-473f-a410-72d24ec44317	Environmental → Ground → Unknown	EF 3.1	kg	2
3b216ec9-2892-45e1-8e42-ac85d9b2579c	Environmental → Water → Long-term	EF 3.1	kg	0
27417319-9630-4817-9a2e-c9844532fb06	Environmental → Water → Ocean	EF 3.1	kg	2
33d3f63c-5290-4c99-ae24-04f2a30abf8d	Environmental → Water → Surface water	EF 3.1	kg	2
1178baf5-ac16-4b52-8e0e-90a03001b254	Environmental → Water → Unknown	EF 3.1	kg	2
Everything that changed this substance (57 changes)
Open the changes page
Flow object JSON
{
  "flow_object_id": "fo-6d363d0bdaf194d3",
  "prefLabel": [
    {
      "@value": "Ibuprofen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
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  "altLabel": [
    {
      "@value": "(+-)-2-(p-isobutylphenyl)propionic acid",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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      "@value": "(+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "(+-)-ibuprofen",
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      "provenance": {
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    {
      "@value": "(+-)-p-isobutylhydratropic acid",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "(4-isobutylphenyl)-alpha-methylacetic acid",
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    },
    {
      "@value": "(4-Isobutylphenyl)-α-methylacetic acid",
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    },
    {
      "@value": "(RS)-ibuprofen",
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    },
    {
      "@value": "(±)-2-(p-Isobutylphenyl)propionic acid",
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    },
    {
      "@value": "(±)-Ibuprofen",
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    },
    {
      "@value": "(±)-Ibuprophen",
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    },
    {
      "@value": "(±)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid",
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    },
    {
      "@value": "2-(4-isobutylphenyl)propanoic acid",
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    },
    {
      "@value": "2-(4′-Isobutylphenyl)propionic acid",
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    },
    {
      "@value": "2-(p-Isobutylphenyl)propionic acid",
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    },
    {
      "@value": "2-[4-(2-methylpropyl)phenyl]propanoic acid",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Isobutyl-α-methylphenylacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-isobutylhydratropic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Actiprofen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Actron Ibuprofen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adran",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Advil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_5855"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Alaxan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15687-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15687-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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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
Ibuprofen

Identity

Structure

What it is used for

Alternative labels

Properties

Known URLs

Elementary flows

History

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