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Ethyl mycophenolate

CAT: 0013-GTR19267149-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19267149-01Size:10 mg
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Description
Ethyl mycophenolate is a potential impurity found in the commercial formulation of the prodrug mycophenolate mofetil.
CAS Number
32483-51-5
Field of Research
Metabolism Research
Smiles
CC1=C2C (=C (O) C (C/C=C (/CCC (OCC) =O) \C) =C1OC) C (=O) OC2
Molecular Formula
C19H24O6
Molecular Weight
348.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl Mycophenolate

Mycophenolic acid ethyl ester is a member of 2-benzofurans.

CAS Number32483-51-5
PubChem CID10904178
IUPAC Nameethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Molecular FormulaC19H24O6
Molecular Weight348.4
XLogP3.9
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity514
SMILES
CCOC(=O)CC/C(=C/CC1=C(C(=C2COC(=O)C2=C1O)C)OC)/C
InChI
InChI=1S/C19H24O6/c1-5-24-15(20)9-7-11(2)6-8-13-17(21)16-14(10-25-19(16)22)12(3)18(13)23-4/h6,21H,5,7-10H2,1-4H3/b11-6+
InChIKey
CUWYKVMNNGRAOW-IZZDOVSWSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Mycophenolate
CAS: 32483-51-5
CID: 10904178
Formula: C19H24O6
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass348.15728848
Monoisotopic Mass348.15728848
Topological Polar Surface Area82.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS6120550-01Mycophenolate Mofetil-d4 (Mycophenolic Acid-2-(4-Morpholinyl)ethyl-d4 Ester)
M9580-15AMycophenolate Mofetil-d4 (Mycophenolic Acid-2- (4-Morpholinyl) ethyl-d4 Ester)
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