6-fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
fo-de48342a4322f595
Identity
- Type
- Neutral molecule
- CAS
- 152-97-6
- EC
- 205-811-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
13- (6α,11β,16α)-6-Fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
- 16α-Methyl-6α-fluoro-Δ1,4-pregnadien-11β,21-diol-3,20-dione
- 6α-Fluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione
- 6α-Fluoro-16α-methyl-1,4-pregnadiene-11β,21-diol-3,20-dione
- 6α-Fluoro-16α-methyl-Δ1,4-pregnadiene-11β,21-diol-3,20-dione
- 6α-Fluoro-16α-methyl-Δ1-corticosterone
- flucortolone
- fluocortolon
- Fluocortolone
- MeSH ID: D005448
- Pregna-1,4-diene-3,20-dione, 6-fluoro-11,21-dihydroxy-16-methyl-, (6α,11β,16α)-
- Pregna-1,4-diene-3,20-dione, 6α-fluoro-11β,21-dihydroxy-16α-methyl-
- Ultralan oral
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | GAKMQHDJQHZUTJ-ULHLPKEOSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO |
| IUPAC name chemrof:IUPAC_name | (6α,11β,16α)-6-Fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione |
| Molecular formula chemrof:molecular_formula | C22H29FO4 |
| Molecular mass chemrof:molecular_mass | 376.468 |
| Monoisotopic mass chemrof:monoisotopic_mass | 376.204988, 376.20499 |
| SMILES string chemrof:smiles_string | CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO |
Known URLs
17Where 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=152-97-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135581 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.284 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID00861835 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB08971 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1206 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1206 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL251634 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/65VXC1MH0J | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.871H | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D04218 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144719 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C80819 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL251634 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/9053 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q5462793 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Fluocortolone | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 8addc5f5-8e98-49b7-ae11-50c6e6ff2265 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 8806c541-e5b9-44f6-ba65-7216d2a91388 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 492934a5-9851-400f-984b-79a076fcf688 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 8a5479be-6fb4-4d23-99af-5f6d96ac62bd | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 2025b62b-2b69-4038-97ce-68124332d94b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| d22ac9c7-47da-46d8-b562-ec7f27ded2ec | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 8e2c675d-1864-421c-b72a-4e5df4285242 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| d0ed652f-bd5f-4dae-9601-d266e770689e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 5cd152cf-91ce-4964-9767-1fac1af8fc72 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| d5ea0f13-a372-4ec9-b621-9dd23aa11913 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d438b9be-f4e6-448f-995c-b571a736c45e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 14a6171b-669c-4635-8bf7-32770275e212 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 6729d978-96b9-41f7-bce3-71873d77ecc8 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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