Formebolone
Basic information
- CAS
2454-11-7- Standard SMILES
C[C@]12C=C(C=O)C(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(C)O- InChIKey
AMVODTGMYSRMNP-GNIMZFFESA-N- Molecular formula
- C21H28O4
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.19875937
Overview
Formebolone is a steroid aldehyde and a 3-hydroxy steroid. It has a role as an androgen.
Names & identifiers
- Preferred name
- Formebolone
- IUPAC
- (8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13,17-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2-carbaldehyde
- English name
- formebolone
- Molecular formula
- C21H28O4
- Molecular weight
- 344.45
Names & synonyms
FormeboloneEsicleneFormyldienoloneHubernolFormebolona2454-11-7FormebolonumZ2MMV08KUQ11-alpha,17-beta-Dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carboxaldehyde2-Formyl-11-alpha-hydroxy-delta(sup 1)-methyltestosteroneDTXSID601792862-Formyl-17-alpha-methylandrosta-1,4-diene-11-alpha,17-beta-diol-3-one
Show more names
2-ForMyl-11α-hydroxy-1-Methyltestosterone2-ForMyl-17α-Methylandrosta-1,4-dien- 11α,17β-diol-3-one2-ForMyl-17α-Methylandrosta-1,4-diene-11α,17β-diol-3-one2-ForMyl-17α-Methylandrosta-1,4-diene-11α,17β-dihydroxy-3- one11α,17β-Dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carbaldehyde3-Oxo-17-methyl-11α,17β-dihydroxyandrosta-1,4-diene-2-carbaldehyde
11alpha,17beta-Dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carboxaldehydeformildienolone2-formyl-17 alpha-methylandrosta-1,4-diene-11 alpha,17 beta-diol-3-one(1S,2R,10S,11S,14S,15S,17R)-14,17-dihydroxy-2,14,15-trimethyl-5-oxotetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-3,6-diene-4-carbaldehyde(1S,2R,10S,11S,14S,15S,17R)-14,17-dihydroxy-2,14,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-4-carbaldehydeRefChem:141219DTXCID9010177711 alpha,17 beta-dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carboxaldehyde
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 707
Experimental & physicochemical properties
Drugs
DEA Schedule III Controlled Substance -> Anabolic steroids
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point209 - 212 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 209 · 209-212°
- alpha
- 25 · D25 -105° (CHCl3)
- Boiling point
- 399.53 °C · 399.53°C (rough estimate)
- Density
- 1.0556 · 1.0556 (rough estimate)
- refractive index
- 1.443 · 1.4430 (estimate)
- pka
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationDEA schedule III controlled substance
Safety data
- Toxicity
- Approx LD50 in rats, mice (mg/kg): 104, 187 i.p.; 270, 293 s.c.; orally in rats: >1000 (Travella)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
UsesThis is a controlled substance (anabolic steroid). Anabolic.
Additional notes
DefinitionChEBI: Formebolone is a 3-hydroxy steroid and a steroid aldehyde. It has a role as an androgen.
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