16alpha-Hydroxyandrostenedione
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Basic information
- CAS
63-02-5- Standard SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](O)C[C@@H]12- InChIKey
SSBCZTXGVMMZOT-NBBHSKLNSA-N- Molecular formula
- C19H26O3
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.18819469
Overview
16alpha-hydroxyandrost-4-ene-3,17-dione is a 16alpha-hydroxy steroid, a 17-oxo steroid, a secondary alpha-hydroxy ketone, a 3-oxo steroid and an androstanoid. It has a role as a mouse metabolite.
Names & identifiers
- Preferred name
- 16alpha-Hydroxyandrostenedione
- IUPAC
- (8R,9S,10R,13S,14S,16R)-16-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
- English name
- 4-ANDROSTEN-16A-OL-3,17-DIONE
- Molecular formula
- C19H26O3
- Molecular weight
- 302.40794
Names & synonyms
16alpha-Hydroxyandrostenedione63-02-516alpha-Hydroxyandrost-4-ene-3,17-dione16alpha-OH-AdionJN8H7214IR16alpha-hydroxy-4-androstene-3,17-dionedelta4-Androsten-3,17-dione-16alpha-ol(16alpha)-16-Hydroxyandrost-4-ene-3,17-dione4-Androsten-16alpha-ol-3,17-dioneCHEBI:27582DTXSID20331500RefChem:908224
Show more names
16α-Hydroxyandrostenedione4-Androsten-16α-ol-3,17-dione4-ANDROSTEN-16A-OL-3,17-DIONE4-Androsten-16α-Ol-3, 17-Dione4-ANDROSTEN-14α-OL-3, 17-DIONEAndrost-4-ene-3,17-dione, 16-hydroxy-, (16α)-
DTXCID30282594UNII-JN8H7214IR(8R,9S,10R,13S,14S,16R)-16-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione16?-HydroxyandrostenedioneC0514016.ALPHA.-OH-ADION16alpha-hydroxy-androstenedioneSCHEMBL2508757
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 577
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 185 · 185-187 °C(Solv: acetone (67-64-1); ethyl ether (60-29-7))
- Boiling point
- 475.3 · 475.3±45.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in No data available
- pka
- 13.06 · 13.06±0.60(Predicted)
- FDA UNII
- 8 H7214IR · JN8H7214IR
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
Uses16α-Hydroxyandrostenedione, is a metabolite of of Androstenedione (A637550), which is a Testosterone precursor and metabolite with androgenic activity.
Additional notes
DefinitionChEBI: 16alpha-hydroxyandrost-4-ene-3,17-dione is a 16alpha-hydroxy steroid, a 3-oxo steroid, a 17-oxo steroid, an androstanoid and a secondary alpha-hydroxy ketone. It has a role as a mouse metabolite.
Related reactions
0 records
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Compound notes
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