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O-Desmethyl Mycophenolic Acid Methyl Ester-[d3]

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General Information
Catalog: BLP-003640
CAS: 1331670-20-2
Molecular Formula: C17H17D3O6
Molecular Weight: 323.36

Chemical Structure

Description	O-Desmethyl Mycophenolic Acid Methyl Ester-[d3], is the labelled analogue of O-Desmethyl Mycophenolic Acid Methyl Ester, 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	O-Desmethyl Mycophenolic Acid Methyl Ester D3
IUPAC Name	trideuteriomethyl (E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Related CAS	33431-38-8 (unlabelled)
Canonical SMILES	CC1=C2COC(=O)C2=C(C(=C1O)CC=C(C)CCC(=O)OC)O
InChI	InChI=1S/C17H20O6/c1-9(5-7-13(18)22-3)4-6-11-15(19)10(2)12-8-23-17(21)14(12)16(11)20/h4,19-20H,5-8H2,1-3H3/b9-4+/i3D3
InChI Key	ONBUUVPMBJOPQE-HZIIEIAOSA-N
Boiling Point	544.1±50.0°C at 760 mmHg
Density	1.3±0.1 g/cm3
Solubility	Soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance	Pale-Yellow Solid
Storage	Store at-20°C