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22-Hydroxy Mifepristone-[d6]

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General Information
Catalog: BLP-006112
Molecular Formula: C29H29D6NO3
Molecular Weight: 451.63

Chemical Structure

Description	22-Hydroxy Mifepristone-[d6] is an isotopically labelled analogue of 22-Hydroxy Mifepristone. Hydroxy Mifepristone is a metabolite of Mifepristone.
Synonyms	(11β,17β)-11-[4-(Dimethylamino-d6)phenyl]-17-hydroxy-17-(3-hydroxy-1-propyn-1-yl)-estra-4,9-dien-3-one; Hydroxy Mifepristone D6
IUPAC Name	(8S,11R,13S,14S,17S)-11-[4-[bis(trideuteriomethyl)amino]phenyl]-17-hydroxy-17-(3-hydroxyprop-1-ynyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Related CAS	105012-15-5 (unlabelled)
Canonical SMILES	CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CCO)O)C5=CC=C(C=C5)N(C)C
InChI	InChI=1S/C29H35NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,7,10-13,15-16,18H2,1-3H3/t24-,25+,26-,28-,29-/m0/s1/i2D3,3D3
InChI Key	ULLTWLWXPJPTQG-DXEGGRAFSA-N
Melting Point	128-131°C
Purity	95% by CP; 95% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Yellow Solid
Storage	Store at-20°C