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Raloxifene-[d4] hydrochloride

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General Information
Catalog: BLP-013991
CAS: 1188263-47-9
Molecular Formula: C28H23D4NO4S.HCl
Molecular Weight: 514.07

Chemical Structure

Description	Raloxifene-[d4] hydrochloride is the labelled salt of Raloxifene, which is a selective estrogen receptor modulator. It can be used in the prevention of osteoporosis in postmenopausal women and to reduce the risk of invasive breast cancer in postmenopausal women with osteoporosis and in postmenopausal women at high risk for invasive breast cancer.
Synonyms	Raloxifene-d4 hydrochloride; [6-Hydroxy-2-(4-hydroxyphenyl)-benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone-d4 Hydrochloride; Keoxifene-d4; LY-139481-d4; Evista-d4
IUPAC Name	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(1,1,2,2-tetradeuterio-2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
Related CAS	82640-04-8 (unlabelled) 1185076-44-1 (free base)
Isomeric SMILES	[2H]C([2H])(C([2H])([2H])OC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)N5CCCCC5.Cl
Canonical SMILES	C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl
InChI	InChI=1S/C28H27NO4S.ClH/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29;/h4-13,18,30-31H,1-3,14-17H2;1H/i16D2,17D2;
InChI Key	BKXVVCILCIUCLG-ZBLPOJTCSA-N
Melting Point	>252°C (dec.)
Purity	≥98%; ≥99% atom D
Solubility	Soluble in Methanol (Slightly), Water (Slightly)
Appearance	Off-white Solid
Storage	Store at -20°C