Megestrol Acetate-[d3]

Category	Human immunodeficiency Virus (HIV)
CAS	162462-72-8
Description	Megestrol Acetate-[d3] is the labelled analogue of Megestrol Acetate, which is a progestin commonly used as an appetite stimulant.

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Synonyms	Megestrol Acetate D3; 17-(Acetyloxy)-6-(methyl-d3)-pregna-4,6-diene-3,20-dione
IUPAC Name	[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-6-(trideuteriomethyl)-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Weight	387.53
Molecular Formula	C24H29D3O4
Canonical SMILES	CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
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/i1D3
InChIKey	RQZAXGRLVPAYTJ-CPPTVPENSA-N
Melting Point	>190°C (dec.)
Purity	95% by HPLC; 95% atom D
Solubility	Soluble in Chloroform, Ethyl Acetate, Methanol
Appearance	Off-white to Pale Yellow Solid
Storage	Store at -20°C
Complexity	821
Exact Mass	387.24888974
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target	Progesterone Receptor; Autophagy; HIV
XLogP3-AA	3.1