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Molecule
Megestrol Acetate
CAS: 595-33-5 · C24H32O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 595-33-5
- Molecular Formula
- C24H32O4
- Molecular Mass
- 384.52 g/mol
Identifiers
CAS Registry Number
595-33-5
SMILES
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI Key
RQZAXGRLVPAYTJ-GQFGMJRRSA-N
InChI
InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1
Names and Synonyms
- Megestrol Acetate Synonym
- Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl- Synonym
- Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-, acetate Synonym
- 17-(Acetyloxy)-6-methylpregna-4,6-diene-3,20-dione Synonym
- BDH 1298 Synonym
- 5071 Synonym
- SC 10363 Synonym
- 17α-Acetoxy-6-dehydro-6-methylprogesterone Synonym
- DMAP Synonym
- 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate Synonym
- Megestrol acetate Synonym
- 6-Methyl-6-dehydro-17α-acetoxyprogesterone Synonym
- 6-Methyl-17α-hydroxy-Δ6-progesterone acetate Synonym
- 17α-Acetoxy-6-methylpregna-4,6-diene-3,20-dione Synonym
- 6-Dehydro-6-methyl-17α-acetoxyprogesterone Synonym
- 6-Methyl-17α-acetoxy-4,6-pregnadiene-3,20-dione Synonym
- 17-Acetoxy-6-methylpregna-4,6-diene-3,20-dione Synonym
- 17α-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate Synonym
- 6-Methyl-Δ4,6-pregnadien-17α-ol-3,20-dione acetate Synonym
- Megace Synonym
- Niagestin Synonym
- Megestryl acetate Synonym
- Magestin Synonym
- Megeron Synonym
- Ovarid Synonym
- MGA Synonym
- Megestin Synonym
- Nia Synonym
- Megestat Synonym
- Maygace Synonym
- Megestil Synonym
- Ovaban Synonym
- NSC 71423 Synonym
- Megalia Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.52 g/mol | CAS Common Chemistry |
| 384.51600000000025 g/mol | RDKit | |
| 384.516 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1(C(=O)C)CCC2C3C=C(C4=CC(=O)CCC4(C)C3CCC21C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RQZAXGRLVPAYTJ-GQFGMJRRSA-N | CAS Common Chemistry |
| Melting Point | 214 °C | CAS Common Chemistry |
| Name | Megestrol acetate | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.440000000000005 Ų | RDKit |
| 60.44 Ų | RDKit | |
| LogP | 4.575300000000005 | RDKit |
| 4.5753 | RDKit | |
| Molar Refractivity | 106.41100000000007 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7083 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 384.230059504 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 384.52 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H32O4.
