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



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
The oral progestational and anti-ovulatory properties of megestrol acetate and its therapeutic use in gynaecological disorders.,
J Obstet Gynaecol Br Emp, 1965
Pubmed ID: 12332461

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
Cayman ID

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