Basic information
- CAS
15687-21-5- Standard SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
CDZJOBWKHSYNMO-SCUQKFFVSA-N- Molecular formula
- C22H29F3O3
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.20687927
Overview
Flumedroxone is a corticosteroid hormone.
Names & identifiers
- Preferred name
- (6alpha)-17-Hydroxy-6-(trifluoromethyl)pregn-4-ene-3,20-dione
- IUPAC
- (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
- English name
- Flumedroxone
- Molecular formula
- C22H29F3O3
- Molecular weight
- 398.46
Names & synonyms
Flumedroxone15687-21-5FlumedroxonaFlumedrossoneFlumedroxonumWG-537 FREE BASEK80185F39XRefChem:906240N02CB0117-acetyloxy-6 alpha-(trifluoromethyl)preg-4-ene,3,20-dione17-hydroxy-6 alpha-(trifluoromethyl)pregn-4-ene-3,20-dione(6alpha)-17-Hydroxy-6-(trifluoromethyl)pregn-4-ene-3,20-dione
Show more names
17-Hydroxy-6α-trifluoromethylpregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 17-hydroxy-6-(trifluoromethyl)-, (6α)-
(1S,2R,8S,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyl-8-(trifluoromethyl)tetracyclo(8.7.0.0^(2,7).0^(11,15))heptadec-6-en-5-oneFlumedrossone [DCIT]Flumedroxone [INN:BAN]WG 537 [as acetate]Flumedroxonum [INN-Latin]Flumedroxona [INN-Spanish]UNII-K80185F39XFlumedroxone (INN)
Database identifiers
- CAS
15687-21-5- PubChem CID
- 20055352
- DTXSID
DTXSID40905080
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 757
Physicochemical properties
- Boiling point
- 481.9 · 481.9±45.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 12.92 · 12.92±0.70(Predicted)
- FDA UNII
- 80185 F39X · K80185F39X
- ATC code
- 2 CB01 · N02CB01
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
Applications
UsesFlumedroxone is used in migraine treatment and in antimigraine preparation.
Suppliers1 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Additional notes
DefinitionChEBI: Flumedroxone is a corticosteroid hormone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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