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Medroxyprogesterone-[d3]

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General Information
Catalog: BLP-009687
CAS: 162462-69-3
Molecular Formula: C22H29O3D3
Molecular Weight: 347.52

Chemical Structure

Description	An isotope labelled Medroxyprogesterone. Medroxyprogesterone is a steroidal progestin drug, but it was never marketed for use in humans.
Synonyms	17α-Hydroxy-6α-methyl-D3-4-pregnene-3,20-dione; 6α-17-Hydroxy-6-(methyl-d3)-pregn-4-ene-3,20-dione; 17α-Hydroxy-6α-(methyl-d3)-progesterone; 17-Hydroxy-6α-(methyl-d3)pregn-4-ene-3,20-dione; NSC 27408-d3
IUPAC Name	(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6-(trideuteriomethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Related CAS	520-85-4 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C
Canonical SMILES	CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C
InChI	InChI=1S/C22H32O3/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/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1/i1D3
InChI Key	FRQMUZJSZHZSGN-ZLUPVJNASA-N
Melting Point	192-195ºC
Purity	> 95%
Appearance	Off-White to Grey Solid