chempirical

Megestrol

C22H30O3CAS 3562-63-8342.48 g/mol

Open in Covalent MOL file
OHOO
AlcoholAlkeneKetone

Properties

Molecular formula
C22H30O3
Molar mass
342.48 g/mol
Exact mass
342.2195 Da
Melting point
207–208 °C
logP
4.00Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
R, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
3562-63-8
SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
VXIMPSPISRVBPZ-NWUMPJBXSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-
  • 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione
  • Magestrol

Work with Megestrol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Medrogestone977-79-775 % similar Megestrol acetate595-33-570 % similar Nomegestrol58691-88-666 % similar Melengestrol acetate2919-66-662 % similar 17β-Hydroxyprogesterone604-09-162 % similar 17α-Hydroxyprogesterone68-96-262 % similar Chlormadinone acetate302-22-758 % similar Medroxyprogesterone520-85-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Trimegestone74513-62-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook