Structure Database (LMSD)
Common Name
Megestrol acetate
Systematic Name
17α-hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate
Synonyms
LM ID
LMST02030118
Status
Active
Exact Mass
Calculate m/z
384.23006
Formula
Abbrev
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