16alpha-Hydroxyprogesterone
Grundinformationen
- CAS
438-07-3- Standard-SMILES
CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
LOVNYFVWYTXDRE-RMWFXKKMSA-N- Summenformel
- C21H30O3
- Durchschnittliche Molmasse
- 330,5 g/mol
- Monoisotopische Masse
- 330,21949482
Überblick
16alpha-hydroxyprogesterone is a 16alpha-hydroxy steroid. It is functionally related to a progesterone.
Namen und Bezeichner
- Bevorzugter Name
- 16alpha-Hydroxyprogesterone
- IUPAC
- (8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- Englischer Name
- 16ALPHA-Hydroxyprogesterone
- Summenformel
- C21H30O3
- Molmasse
- 330.46
Namen und Synonyme
16alpha-Hydroxyprogesterone438-07-316alpha-Hydroxypregn-4-ene-3,20-dione16.alpha.-HydroxyprogesteroneUNII-Y7JT9A46EOY7JT9A46EONSC 53910NSC 52324916-ALPHA-HYDROXYPROGESTERONENSC-53910NSC-52324916alpha-hydroxyprogesterone1
Weitere Namen anzeigen
16-alfa-Hydroxy Progesterone16-α-HydroxyprogesteroneValproic Acid Impurity 614-PREGNEN-16α-OL-3, 20-DIONE16α-Hydroxypregn-4-ene-3,20-dione16α-Hydroxy-4-pregnene-3,20-dione16α-Hydroxy-Δ4-pregnene-3,20-dione(16α)-16-Hydroxypregn-4-ene-3,20-dione
CHEBI:15826Pregn-4-ene-3,20-dione, 16.alpha.-hydroxy-DTXSID001017030Pregn-4-ene-3,20-dione, 16-hydroxy-, (16.alpha.)-16.ALPHA.-HYDROXY-4-PREGNENE-3,20-DIONE16-Hydroxypregn-4-ene-3,20-dione-, (16.alpha.)-16.ALPHA.-HYDROXY-.DELTA.4-PREGNENE-3,20-DIONERefChem:79078
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 54,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 621
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Physikochemische Eigenschaften
- Schmelzpunkt
- 225 · 225-226 °C
- Siedepunkt
- 487.4 · 487.4±45.0 °C(Predicted)
- Dichte
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated)
- Aggregatzustand
- Solid
- pka
- 14.56 · 14.56±0.70(Predicted)
- Farbe
- Whte to Off-White
- Stabilität
- Hygroscopic
Chemie und Industrie
Anwendungen
Verwenden16α-Hydroxyprrogesterone is a hydroxylated metabolite of Progesterone (P755900). 16α-Hydroxyprogesterone binds to human progesterone receptors hPR-A and hPR-B and act as an agonist for both receptors.
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