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Melengestrol acetate-[d3]

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General Information
Catalog: BLP-001025
Molecular Formula: C25H29D3O4
Molecular Weight: 399.54

Chemical Structure

Description	Labelled form of Melengestrol acetate. Melengestrol acetate is used as an orally active progestational steroid.
Synonyms	17-(Acetyloxy-d3)-6-methyl-16-methylenepregna-4,6-diene-3,20-dione; 17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione Acetate-d3; 17-(Acetoxy-d3)-6-methyl-16-methylenepregna-4,6-diene-3,20-dione; 6-Dehydro-16-methylene-17α-hydroxy-6α-methylprogesterone Acetate-d3; Heifermax 500-d3; NSC-70968-d3
IUPAC Name	[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] 2,2,2-trideuterioacetate
Related CAS	2919-66-6 (unlabelled)
Canonical SMILES	CC1=CC2C(CCC3(C2CC(=C)C3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
InChI	InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1/i4D3
InChI Key	UDKABVSQKJNZBH-TWOXOXTASA-N
Melting Point	>214°C (dec.)
Purity	≥98% by CP; ≥98% atom D
Solubility	Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white to Light Yellow Solid