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Emodin-[d4]

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General Information
Catalog: BLP-010798
CAS: 132796-52-2
Molecular Formula: C15H6D4O5
Molecular Weight: 274.26

Chemical Structure

Description	Emodin-[d4] is the labelled analogue of Emodin, which is an anthraquinone found naturally in the roots and barks of numerous plants. It exerts antiproliferative effects in cancer cells that are regulated by different signaling pathways. It has anti-cancer, anti-depressant and anti-microbial effects.
Synonyms	Emodin D4; 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione-d4; 1,6,8-Trihydroxy-3-methylanthraquinone-d4; 4,5,7-Trihydroxy-2-methyl-anthraquinone-d4; Archin-d4; Emodin-d4; Emodol-d4; Frangula Emodin-d4; Frangulic Acid-d4; NSC 622947-d4; Rheum Emodin-d4; Schuttgelb-d4
IUPAC Name	1,3,6,8-tetradeuterio-2,4,5-trihydroxy-7-methylanthracene-9,10-dione
Related CAS	518-82-1 (unlabelled)
Canonical SMILES	CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O
InChI	InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3/i2D,3D,4D,5D
InChI Key	RHMXXJGYXNZAPX-QFFDRWTDSA-N
Melting Point	243-246°C
Purity	≥96%; ≥98% atom D
Solubility	Slightly soluble in DMSO, Ethyl Acetate
Appearance	Brownish to Dark Orange Solid
Application	Labelled Emodin. Occurs mostly as the rhamnoside (see Frangulin) in rhubarb root. Cathartic.
Storage	Store at -20°C