Flumedroxone
PubChem CID
20055352
Structure
Molecular Formula
Synonyms
- Flumedroxone
- 15687-21-5
- Flumedrossone
- Flumedroxona
- Flumedroxonum
Molecular Weight
398.5 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2007-12-05
- Modify:2025-01-11
Description
Flumedroxone is a corticosteroid hormone.
FLUMEDROXONE is a small molecule drug with a maximum clinical trial phase of II and has 1 investigational indication.
Chemical Structure Depiction
(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C22H29F3O3/c1-12(26)21(28)9-6-16-14-11-18(22(23,24)25)17-10-13(27)4-7-19(17,2)15(14)5-8-20(16,21)3/h10,14-16,18,28H,4-9,11H2,1-3H3/t14-,15+,16+,18+,19-,20+,21+/m1/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CDZJOBWKHSYNMO-SCUQKFFVSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)C(F)(F)F)C)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C22H29F3O3
Computed by PubChem 2.2 (PubChem release 2024.11.20)
987-18-8 (acetate)
- 17 alpha-hydroxy-6 alpha-(trifluoromethyl)pregn-4-ene-3,20-dione acetate
- 6 alpha-trifluoromethyl-17 alpha-acetoxyprogesterone
- flumedroxone
- flumedroxone acetate
- Flumedroxone
- 15687-21-5
- Flumedrossone
- Flumedroxona
- Flumedroxonum
- WG 537 [as acetate]
- Flumedrossone [DCIT]
- Flumedroxone [INN:BAN]
- Flumedroxonum [INN-Latin]
- K80185F39X
- Flumedroxona [INN-Spanish]
- Pregn-4-ene-3,20-dione, 17-hydroxy-6-(trifluoromethyl)-, (6alpha)-
- UNII-K80185F39X
- Flumedroxone (INN)
- FLUMEDROXONE [INN]
- (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- 17-Hydroxy-6alpha-(trifluoromethyl)pregn-4-ene-3,20-dione
- Flumedroxon
- WG-537 FREE BASE
- FLUMEDROXONE [WHO-DD]
- SCHEMBL572287
- CHEMBL2104932
- DTXSID40905080
- CDZJOBWKHSYNMO-SCUQKFFVSA-N
- CHEBI:135987
- DB13610
- D07296
- Q8564075
- Pregn-4-ene-3,20-dione, 17-hydroxy-6alpha-(trifluoromethyl)-
- 17-HYDROXY-6.ALPHA.-(TRIFLUOROMETHYL)PREGN-4-ENE-3,20-DIONE
- [17-Acetyl-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetate
- Flumedroxone; Pregn-4-ene-3,20-dione, 17-hydroxy-6-(trifluoromethyl)-, (6a)-; Pregn-4-ene-3,20-dione, 17-hydroxy-6a-(trifluoromethyl)- (8CI); (6a)-17-Hydroxy-6-(trifluoromethyl)pregn-4-ene-3,20-dione; 17-Hydroxy-6a-(trifluoromethyl)pregn-4-ene-3,20-dione; Flumedroxone
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
398.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
3.9
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
398.20687927 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
398.20687927 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
54.4 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
28
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
757
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
7
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=CDZJOBWKHSYNMO-SCUQKFFVSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/(6α)-17-Hydroxy-6-(trifluoromethyl)pregn-4-ene-3,20-dionehttps://commonchemistry.cas.org/detail?cas_rn=15687-21-5
- ChemIDplusFlumedroxone [INN:BAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0015687215ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_useFlumedroxonehttps://www.drugbank.ca/drugs/DB13610
- EPA DSSTox17-Hydroxy-6alpha-(trifluoromethyl)pregn-4-ene-3,20-dionehttps://comptox.epa.gov/dashboard/DTXSID40905080CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- ChEBI
- Open TargetsLICENSEDatasets generated by the Open Targets Platform are freely available for download.https://platform-docs.opentargets.org/licence
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.htmlAnatomical Therapeutic Chemical (ATC) classificationhttp://www.genome.jp/kegg-bin/get_htext?br08303.keg
- Metabolomics Workbench
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- SpectraBase(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-onehttps://spectrabase.com/spectrum/EfOCp0Q6ep5
- Springer Nature
- WHO Anatomical Therapeutic Chemical (ATC) ClassificationLICENSEUse of all or parts of the material requires reference to the WHO Collaborating Centre for Drug Statistics Methodology. Copying and distribution for commercial purposes is not allowed. Changing or manipulating the material is not allowed.https://www.whocc.no/copyright_disclaimer/Flumedroxonehttps://www.whocc.no/atc_ddd_index/?code=N02CB01
- Wikidataflumedroxonehttps://www.wikidata.org/wiki/Q8564075
- WikipediaFlumedroxonehttps://en.wikipedia.org/wiki/Flumedroxone
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlflumedroxonehttps://www.ncbi.nlm.nih.gov/mesh/67007732
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388882095https://pubchem.ncbi.nlm.nih.gov/substance/388882095
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