Structure Database (LMSD)
Common Name
Megestrol acetate
Systematic Name
17α-hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate
Synonyms
LM ID
LMST02030118
Formula
Exact Mass
Calculate m/z
384.23006
Sum Composition
Status
Active
3D model of Megestrol acetate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RQZAXGRLVPAYTJ-GQFGMJRRSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
[C@]1(C(=O)C)(OC(=O)C)CC[C@@]2([H])[C@]3([H])C=C(C4=CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O)C
References
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
4
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
396.28
Topological Polar Surface Area
60.44
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
logP
4.86
Molar Refractivity
106.92
Admin
Created at
-
Updated at
1st Jun 2022