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Ulipristal Acetate-[d6]

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General Information
Catalog: BLP-012645
CAS: 1621894-64-1
Molecular Formula: C30H31D6NO4
Molecular Weight: 481.65

Chemical Structure

Description	Ulipristal Acetate-[d6] is the labelled analogue of Ulipristal Acetate. Ulipristal Acetate is a selective progesterone receptor modulator (SPRM) used for emergency contraception and uterine fibroid.
Synonyms	Ulipristal Acetate D6; 17-(acetyloxy)-11beta-[4-[di(methyl-d3)amino]phenyl]-19-norpregna-4,9-diene-3,20-dione
IUPAC Name	[(8S,11R,13S,14S,17R)-17-acetyl-11-[4-[bis(trideuteriomethyl)amino]phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Related CAS	126784-99-4 (unlabelled)
Canonical SMILES	CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)OC(=O)C
InChI	InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1/i4D3,5D3
InChI Key	OOLLAFOLCSJHRE-JBNLJIHUSA-N
Boiling Point	640.1±55.0 °C at 760 mmHg
Purity	95% by HPLC; 98% atom D
Density	1.2±0.1 g/cm3