Dexamethasone
fo-0c357899caef61e8
Identity
- Type
- Neutral molecule
- CAS
- 50-02-2
- EC
- 200-003-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
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
111- (11beta,16alpha)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
- (11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
- 1-dehydro-16alpha-methyl-9alpha-fluorohydrocortisone
- 1-Dehydro-16α-methyl-9α-fluorohydrocortisone
- 16alpha-methyl-9alpha-fluoro-1-dehydrocortisol
- 16α-Methyl-9α-fluoro-1,4-pregnadiene-11β,17α,21-triol-3,20-dione
- 16α-Methyl-9α-fluoro-11β,17α,21-trihydroxypregna-1,4-diene-3,20-dione
- 16α-Methyl-9α-fluoro-Δ1-hydrocortisone
- 16α-Methyl-9α-fluoroprednisolone
- 24: PN: US20220380460 SEQID: 25 claimed sequence
- 9-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
- 9-Fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
- 9alpha-fluoro-16alpha-methylprednisolone
- 9α-Fluoro-11β,17α,21-trihydroxy-16α-methyl-1,4-pregnadiene-3,20-dione
- 9α-Fluoro-16α-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione
- 9α-Fluoro-16α-methyl-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione
- 9α-Fluoro-16α-methylprednisolone
- Adexone
- Aeroseb-Dex
- Aphtasolon
- Aphthasolone
- Auxiron
- Azium
- Calonat
- Corson
- Corsone
- Cortisumman
- De-Sone LA
- Decacort
- Decaderm
- Decadron A
- Decaject
- Decalix
- Decameth
- Decasone
- Dekacort
- Dekort
- Delipos
- Deltafluorene
- Dergramin
- Deronil
- Desadrene
- Desameton
- Deseronil
- DEX
- Dexa-Cortidelt
- Dexa-Mamallet
- Dexa-Scheroson
- Dexa-sine
- Dexacort
- Dexacortal
- Dexacortin
- Dexadeltone
- Dexafarma
- Dexalona
- Dexaltin
- dexametasona
- Dexameth
- Dexamethasone alcohol
- dexamethasonum
- Dexamonozon
- Dexapolcort
- Dexapos
- Dexaprol
- Dexaratiopharm
- Dexason
- Dexasone
- Dexaven
- Dexinoral
- Dexium
- Dexmethsone
- Dexone
- Dexonium
- DexPak
- Dextelan
- Dextenza
- Dinormon
- Diodex
- Dxevo
- Etacortilen
- fluormethylprednisolone
- Fluormone
- Fluorocort
- Gammacorten
- Gentalipos
- Hexadecadrol
- Hexadrol
- HL-Dex
- Isopto-Dex
- Lokalison F
- Loverine
- Luxazone
- Maxidex
- MeSH ID: D003907
- Millicorten
- Minidex
- Neofordex
- Oftan
- Oradexon
- Ozurdex
- Pet-Derm III
- Posurdex
- Prednisolon F
- Prednisolone F
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11β,16α)-
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl-
- Solurex
- Superprednol
- Surodex
- Visumetazone
- Zema-Pak
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UREBDLICKHMUKA-CXSFZGCWSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |
| IUPAC name chemrof:IUPAC_name | (11beta,16alpha)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione |
| Molecular formula chemrof:molecular_formula | C22H29FO5 |
| Molecular mass chemrof:molecular_mass | 392.467 |
| Monoisotopic mass chemrof:monoisotopic_mass | 392.1999, 392.199902 |
| SMILES string chemrof:smiles_string | CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO |
Known URLs
51Where 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:2066652 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=23495-06-9 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=50-02-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:41879 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.004 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3020384 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB01234 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB01234 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:824 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/824 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=34521 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL384467 | enrich_references.pubchem_identifier_url |
| foodb.food | foodb.food:FDB001355 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7S5I7G3JQL | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0015364 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.356K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C15643 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00292 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C15643 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00292 | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMST02030339 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43445 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-10549 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C422 | enrich_references.pubchem_identifier_url |
| patent | patent:DE1113690 | enrich_references.chebi_xrefs |
| patent | patent:GB869511 | enrich_references.chebi_xrefs |
| patent | patent:US3007923 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA449247 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/M1RCMKYSB1B5 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL384467 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5743 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11508649 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12151000 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12686538 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18272184 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18524938 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19779450 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20850457 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26602186 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/29958267 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31391291 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32195984 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32280693 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32496907 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32551464 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32570995 | enrich_references.chebi_xrefs |
| reaxys | reaxys:2066652 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/3264 | enrich_references.pubchem_identifier_url |
| vsdb | vsdb:1769 | enrich_references.chebi_xrefs |
| wikidata.org | https://www.wikidata.org/wiki/Q422252 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Dexamethasone | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3d873f69-9ee8-43d9-93e3-98b3efcc9264 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| e2278cbf-e12a-4a8b-87d5-9704d66844cd | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 4eaa42a2-df80-4fec-95fd-21316e24d3fe | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| f0400f43-9458-46c0-bcee-8aaa44ea2284 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 29a29162-c80e-4b28-a40b-f085b7de037e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 6af94844-fb04-495e-a043-bb5a32da4e2d | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| cff3612b-fb46-4406-ba75-2e43ea3cf867 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| d69d399d-7a37-4982-b621-cb9ff0ca713c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| a5fc0edd-d843-4f77-9769-6f6ee687c53c | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 9189dd06-324c-46fd-a58b-256db78ca7cc | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fcfdcd76-4ea6-4d65-a80b-f3b4c6f5c862 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 044e21d7-adc3-4d45-9491-e04fd611f0e9 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 2ba2fa0e-436f-4a69-9475-fbfc4148bf5b | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-0c357899caef61e8",
"prefLabel": [
{
"@value": "Dexamethasone",
"@language": "en",
"@lang": "en",
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}
}
],
"altLabel": [
{
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "(11β,16α)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-dehydro-16alpha-methyl-9alpha-fluorohydrocortisone",
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}
},
{
"@value": "1-Dehydro-16α-methyl-9α-fluorohydrocortisone",
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],
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},
{
"@value": "16alpha-methyl-9alpha-fluoro-1-dehydrocortisol",
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}
},
{
"@value": "16α-Methyl-9α-fluoro-1,4-pregnadiene-11β,17α,21-triol-3,20-dione",
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},
{
"@value": "16α-Methyl-9α-fluoro-11β,17α,21-trihydroxypregna-1,4-diene-3,20-dione",
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}
},
{
"@value": "16α-Methyl-9α-fluoro-Δ1-hydrocortisone",
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],
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}
},
{
"@value": "16α-Methyl-9α-fluoroprednisolone",
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],
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},
{
"@value": "24: PN: US20220380460 SEQID: 25 claimed sequence",
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],
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}
},
{
"@value": "9-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione",
"@language": "en",
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}
},
{
"@value": "9-Fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "9alpha-fluoro-16alpha-methylprednisolone",
"@language": "en",
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"provenance": {
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}
},
{
"@value": "9α-Fluoro-11β,17α,21-trihydroxy-16α-methyl-1,4-pregnadiene-3,20-dione",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
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"prov:hadPrimarySource": [
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"https://commonchemistry.cas.org/detail?cas_rn=50-02-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "9α-Fluoro-16α-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-02-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-02-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "9α-Fluoro-16α-methyl-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
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"prov:hadPrimarySource": [
"CAS:50-02-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-02-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "9α-Fluoro-16α-methylprednisolone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-02-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-02-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Adexone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-02-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-02-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aeroseb-Dex",
"@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_41879"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Aphtasolon",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-02-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-02-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aphthasolone",
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