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Mycophenolic Acid Impurity

CAT: 0013-GTR19159553-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159553-01Size:500 mg
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Description
Mycophenolic acid is an an immunosuppresant drug and potent anti-proliferative, and can be used in place of the older anti-proliferative azathioprine. It is usually used as part of triple therapy including a calcineurin inhibitor (ciclosporin or tacrolimus) and prednisolone. It is also useful in research for the selection of animal cells that express the E. coli gene coding for XGPRT (xanthine guanine phosphoribosyltransferase) .
CAS Number
27979-57-3
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Smiles
Cc1c (cc (c2c1COC2=O) O) O
Molecular Formula
C9H8O4
Molecular Weight
180.16
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

5,7-Dihydroxy-4-Methylphthalide

5,7-dihydroxy-4-methylphthalide is a member of the class of 2-benzofurans that is 1,3-dihydro-2-benzofuran substituted by oxo, methyl, hydroxy and hydroxy groups at positions 1,4,5, and 7, respectively. It is a natural product found in several genera of fungi including Eurotium repens. It has a role as an impurity, an Aspergillus metabolite and a Penicillium metabolite. It is a member of phenols, a gamma-lactone and a member of 2-benzofurans.

CAS Number27979-57-3
PubChem CID14503052
IUPAC Name5,7-dihydroxy-4-methyl-3H-2-benzofuran-1-one
Molecular FormulaC9H8O4
Molecular Weight180.16
XLogP1.6
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity228
SMILES
CC1=C2COC(=O)C2=C(C=C1O)O
InChI
InChI=1S/C9H8O4/c1-4-5-3-13-9(12)8(5)7(11)2-6(4)10/h2,10-11H,3H2,1H3
InChIKey
GXYQICKPCCBIIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dihydroxy-4-Methylphthalide
CAS: 27979-57-3
CID: 14503052
Formula: C9H8O4
MW: 180.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.16
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass180.04225873
Monoisotopic Mass180.04225873
Topological Polar Surface Area66.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity228
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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