megestrol   Click here for help

GtoPdb Ligand ID: 9128

Synonyms: Chronopil | Magestin | Megace® | megestryl acetate
Approved drug
megestrol is an approved drug (FDA (1971))
Compound class: Synthetic organic
Comment: Megestrol (commonly administered as the acetate ester: PubChem CID 11683) is a synthetic derivative of the female sex hormone progesterone. It has anti-estrogenic and antineoplastic activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 54.37
Molecular weight 342.22
XLogP 3.31
No. Lipinski's rules broken 0
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Canonical SMILES O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(O)C(=O)C)C)C)C
Isomeric SMILES O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C)C
InChI InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1971))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1529 megestrol
Synonyms Click here for help
Chronopil | Magestin | Megace® | megestryl acetate
Database Links Click here for help
CAS Registry No. 3562-63-8 (source: PubChem)
GtoPdb PubChem SID 315661213
PubChem CID 19090
Search Google for chemical match using the InChIKey VXIMPSPISRVBPZ-NWUMPJBXSA-N
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UniChem Compound Search for chemical match using the InChIKey VXIMPSPISRVBPZ-NWUMPJBXSA-N
UniChem Connectivity Search for chemical match using the InChIKey VXIMPSPISRVBPZ-NWUMPJBXSA-N
Wikipedia Megestrol