16alpha-Hydroxyprogesterone
Basic information
- 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- Molecular formula
- C21H30O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.21949482
Overview
16alpha-hydroxyprogesterone is a 16alpha-hydroxy steroid. It is functionally related to a progesterone.
Names & identifiers
- Preferred 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
- English name
- 16ALPHA-Hydroxyprogesterone
- Molecular formula
- C21H30O3
- Molecular weight
- 330.46
Names & synonyms
16alpha-Hydroxyprogesterone438-07-316alpha-Hydroxypregn-4-ene-3,20-dione16.alpha.-HydroxyprogesteroneUNII-Y7JT9A46EOY7JT9A46EONSC 53910NSC 52324916-ALPHA-HYDROXYPROGESTERONENSC-53910NSC-52324916alpha-hydroxyprogesterone1
Show more names
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
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 621
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Physicochemical properties
- Melting point
- 225 · 225-226 °C
- Boiling point
- 487.4 · 487.4±45.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated)
- form
- Solid
- pka
- 14.56 · 14.56±0.70(Predicted)
- color
- Whte to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 7 JT9A46EO · Y7JT9A46EO
Chemistry & industry
Applications
Uses16α-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.
Additional notes
DefinitionChEBI: 16alpha-hydroxyprogesterone is a 16alpha-hydroxy steroid. It is functionally related to a progesterone.
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