Pregn-4-en-20-one, 17-hydroxy-6alpha-methyl-, acetate
Basic information
- CAS
3137-73-3- Standard SMILES
CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CCCCC4(C)C3CCC21C- InChIKey
KDLNOQQQEBKBQM-UHFFFAOYSA-N- Molecular formula
- C24H36O3
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.26644501
Names & identifiers
- Preferred name
- Pregn-4-en-20-one, 17-hydroxy-6alpha-methyl-, acetate
- IUPAC
- (17-acetyl-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate
- English name
- 6-alpha-methyl-20-oxopregn-4-en-17-alpha-yl acetate
- Molecular formula
- C24H36O3
- Molecular weight
- 372.54
Names & synonyms
6-alpha-Methyl-20-oxopregn-4-en-17-alpha-yl acetateNSC7388017-Hydroxy-6.alpha.-methylpregn-4-en-20-one acetateNCIOpen2_008936CHEMBL4762115Pregn-4-en-20-one, 17-hydroxy-6.alpha.-methyl-, acetatePregn-4-en-20-one, 17-(acetyloxy)-6-methyl-, (6.alpha.)-(17-acetyl-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate6-Methyl-20-oxopregn-4-en-17-yl acetateAnatropinCenthaquin Impurity 4617-Acetyloxy-6α-methylpregn-4-en-20-one
Show more names
Pregn-4-en-20-one, 17-(acetyloxy)-6-methyl-, (6α)-
Database identifiers
- CAS
3137-73-3- PubChem CID
- 18443
- ChEMBL
CHEMBL4762115
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 694
Physicochemical properties
- Melting point
- 173 · 173-175°
- alpha
- 20 · D20 +24° (in chloroform)
- Boiling point
- 456.806 · 456.806±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.083 · 1.083±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- FDA UNII
- 396 G9QT · GNT396G9QT
Chemistry & industry
Applications
UsesProgestin.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Anagestone acetate is a steroid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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