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N-Desmethyl Mifepristone-[d3]

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General Information
Catalog: BLP-006056
Molecular Formula: C28H30D3NO2
Molecular Weight: 418.59

Chemical Structure

Description	N-Desmethyl Mifepristone-[d3] is the labelled analogue of N-Demethyl Mifepristone, which is a metabolite of Mifepristone. Mifepristone is a medication used for medical abortion.
Synonyms	N-Desmethyl Mifepristone D3; (11β,17β)-17-Hydroxy-11-[4-(methyl-d3-amino)phenyl]-17-(1-propyn-1-yl)-estra-4,9-dien-3-one; N-Desmethyl-RU 486-d3
IUPAC Name	(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-17-prop-1-ynyl-11-[4-(trideuteriomethylamino)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Related CAS	104004-96-8 (unlabelled)
Canonical SMILES	CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)NC)C)O
InChI	InChI=1S/C28H33NO2/c1-4-14-28(31)15-13-25-23-11-7-19-16-21(30)10-12-22(19)26(23)24(17-27(25,28)2)18-5-8-20(29-3)9-6-18/h5-6,8-9,16,23-25,29,31H,7,10-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/m0/s1/i3D3
InChI Key	IBLXOBHABOVXDY-CQZQNDRGSA-N
Purity	> 95%
Solubility	Slightly soluble in Methanol
Appearance	Pale Yellow Solid
Storage	Store at-20°C