Basic information
- CAS
987-18-8- Standard SMILES
CC(=O)O[C@]1(C(C)=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
MXZYUFNILISKBC-WXLIAARGSA-N- Molecular formula
- C24H31F3O4
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.21744395
Overview
Flumedroxone acetate is a corticosteroid hormone.
Names & identifiers
- Preferred name
- (6alpha)-17-(Acetyloxy)-6-(trifluoromethyl)pregn-4-ene-3,20-dione
- IUPAC
- [(6S,8R,9S,10R,13S,14S,17R)-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
- English name
- 17-hydroxy-6alpha-(trifluoromethyl)pregn-4-ene-3,20-dione 17-acetate
- Molecular formula
- C24H31F3O4
- Molecular weight
- 440.5
Names & synonyms
Flumedroxone acetate987-18-8WG 537S0S93EK936NSC-52412WG-537DTXSID70102479517-Hydroxy-6alpha-(trifluoromethyl)pregn-4-ene-3,20-dione 17-acetate17 alpha-hydroxy-6 alpha-(trifluoromethyl)pregn-4-ene-3,20-dione acetateRefChem:906239DTXCID6015089786alpha-trifluoromethyl-17alpha-acetoxyprogesterone
Show more names
NSC52412NSC 5241217-hydroxy-6α-(trifluoromethyl)pregn-4-ene-3,20-dione 17-acetateAcetic acid 6α-(trifluoromethyl)-3,20-dioxopregn-4-en-17-yl esterPregn-4-ene-3,20-dione, 17-(acetyloxy)-6-(trifluoromethyl)-, (6α)-
6 alpha-trifluoromethyl-17 alpha-acetoxyprogesterone(6alpha)-17-(acetyloxy)-6-(trifluoromethyl)pregn-4-ene-3,20-dione213-577-0DemigranDemigranaLeomigran[(6S,8R,9S,10R,13S,14S,17R)-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] acetateMLS002667527
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 861
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 206 · 206-207°
- alpha
- 20 · D20 +30°
- Boiling point
- 491.3 · 491.3±45.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- FDA UNII
- 0 S93EK936 · S0S93EK936
Chemistry & industry
Applications
UsesFlumedroxone acetate is an active compound.
Suppliers4 total
LGM Pharma1-(800)-881-8210 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Flumedroxone acetate is a corticosteroid hormone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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