Megestrol acetate

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Systematic / IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

ID: Reference2280

Other Names: Ovaban;
Megestryl acetate;
Magestin;
Megeron;
Niagestin ; more

Formula: C24H32O4

Class: Therapeutics/Prescription Drugs

Spectral Data

Megestrol acetate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 164
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/17/2015 12:02:56 PM
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Identificators

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
InChI Key RQZAXGRLVPAYTJ-GQFGMJRRSA-N
Canonical SMILES CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
CAS 595335
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Other Names Ovaban;
Megestryl acetate;
Magestin;
Megeron;
Niagestin;
Ovarid;
Pallace;
17α-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate;
17α-Acetoxy-6-dehydro-6-methylprogesterone;
6-Dehydro-6-methyl-17-α-acetoxyprogesterone;
6-Methyl-6-dehydro-17-α-acetoxyprogesterone;
17α-Acetoxy-6-methylpregna-4,6-diene-3,20-dione;
6-Methyl-17-α-acetoxypregna-4,6-diene-3,20-dione;
6-Methyl-δ4,6-pregnadien-17α-ol-3,20-dione acetate;
Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-, acetate;
Megestrol 17-acetate;
17α-Acetoxy-6-methyl-4,6-pregnadiene-3,20-dione;
17α-Hydroxy-6-methyl-6-dehydroprogesterone 17-acetate;
17α-Hydroxy-6-methyl-4,6-pregnadiene-3,20-dione 17-acetate

In Other Databases

KEGG C08151; D00952
PubChem 11683
ChemIDPlus 000595335; 051154235; 079030516
ChemSpider 11192
Wikipedia Megestrol_acetate
ChEMBL CHEMBL1201139