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Demethylmycophenolic acid-[d5]

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General Information
Catalog: BLP-002483
CAS: 1261432-41-0
Molecular Formula: C16H13D5O6
Molecular Weight: 311.34

Chemical Structure

Description	Demethylmycophenolic acid-[d5], is the labelled analogue of Demethylmycophenolic acid, which is a metabolite of Mycophenolic acid. Mycophenolic acid is an immunosuppressant medication used to prevent rejection following organ transplantation and to treat Crohn's disease.
Synonyms	Demethylmycophenolic acid D5
IUPAC Name	(E)-3,3-dideuterio-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-(trideuteriomethyl)hex-4-enoic acid
Related CAS	31858-65-8 (unlabelled)
Canonical SMILES	CC1=C2COC(=O)C2=C(C(=C1O)CC=C(C)CCC(=O)O)O
InChI	InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)/b8-3+/i1D3,4D2
InChI Key	MHSRNZSBNXFMLF-QASINXQMSA-N