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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
Names and Synonyms:
Megestrol Acetate
Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-
Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-, acetate
17-(Acetyloxy)-6-methylpregna-4,6-diene-3,20-dione
BDH 1298
5071
SC 10363
17α-Acetoxy-6-dehydro-6-methylprogesterone
DMAP
17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate
Megestrol acetate
6-Methyl-6-dehydro-17α-acetoxyprogesterone
6-Methyl-17α-hydroxy-Δ6-progesterone acetate
17α-Acetoxy-6-methylpregna-4,6-diene-3,20-dione
6-Dehydro-6-methyl-17α-acetoxyprogesterone
6-Methyl-17α-acetoxy-4,6-pregnadiene-3,20-dione
17-Acetoxy-6-methylpregna-4,6-diene-3,20-dione
17α-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate
6-Methyl-Δ4,6-pregnadien-17α-ol-3,20-dione acetate
Megace
Niagestin
Megestryl acetate
Magestin
Megeron
Ovarid
MGA
Megestin
Nia
Megestat
Maygace
Megestil
Ovaban
NSC 71423
Megalia
Identifiers:
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:
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
Key Properties
Melting Point
214 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.52 g/mol | CAS Common Chemistry |
| 384.51600000000025 g/mol | RDKit | |
| 384.230059504 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 |
| LogP | 4.575300000000005 | RDKit |
| Molar Refractivity | 106.41100000000007 | RDKit |
