Megestrol acetate

C₂₄H₃₂O₄CAS 595-33-5384.52 g/mol

Open in Covalent MOL file

Alkene Ester Ketone

Properties

Molecular formula: C₂₄H₃₂O₄
Molar mass: 384.52 g/mol
Exact mass: 384.2301 Da
Melting point: 214 °C
logP: 4.58Crippen estimate
Polar surface area: 60.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2
Stereocentres: R, S, R, R, S, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed15.2% of notifiers
H312 Harmful in contact with skin14.4% of notifiers
H332 Harmful if inhaled14.4% of notifiers
H341 Suspected of causing genetic defects25.6% of notifiers
H350 May cause cancer24% of notifiers
H351 Suspected of causing cancer74.4% of notifiers
H360 May damage fertility or the unborn child62.4% of notifiers
H362 May cause harm to breast-fed children23.2% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure34.4% of notifiers

Aggregated from 125 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P263, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

595-33-5

SMILES

CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

InChIKey

RQZAXGRLVPAYTJ-GQFGMJRRSA-N

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

Weigh it out

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

Names and synonyms

32 names · show all

Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-
Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-, acetate
17-(Acetyloxy)-6-methylpregna-4,6-diene-3,20-dione
BDH 1298
5071
SC 10363
17α-Acetoxy-6-dehydro-6-methylprogesterone
DMAP
17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate
6-Methyl-6-dehydro-17α-acetoxyprogesterone
6-Methyl-17α-hydroxy-δ6-progesterone acetate
17α-Acetoxy-6-methylpregna-4,6-diene-3,20-dione
6-Dehydro-6-methyl-17α-acetoxyprogesterone
6-Methyl-17α-acetoxy-4,6-pregnadiene-3,20-dione
17-Acetoxy-6-methylpregna-4,6-diene-3,20-dione
17α-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate
6-Methyl-δ4,6-pregnadien-17α-ol-3,20-dione acetate
Megace
Niagestin
Megestryl acetate
Magestin
Megeron
Ovarid
MGA
Megestin
Nia
Megestat
Maygace
Megestil
Ovaban
NSC 71423
Megalia

Work with Megestrol acetate

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

Chlormadinone acetate302-22-783 % similar Megestrol3562-63-870 % similar Melengestrol acetate2919-66-670 % similar Medrogestone977-79-770 % similar Nomegestrol acetate58652-20-368 % similar 17-Acetoxyisopregn-4-ene-3,20-dione17308-02-064 % similar Progesterone acetate302-23-864 % similar Medroxyprogesterone acetate71-58-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dimenformon dipropionate113-38-2 Ethynodiol diacetate297-76-7 Resibufogenin465-39-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook