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Mycophenolic Acid

CAT: 0063-31905863-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAS Number
24280-93-1
Molecular Formula
C17H20O6
Molecular Weight
320.34

Chemical Information

Mycophenolic Acid

Mycophenolic acid is a member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. It has a role as an anticoronaviral agent, a mycotoxin, an antimicrobial agent, an antineoplastic agent, a xenobiotic, an immunosuppressive agent, an EC 1.1.1.205 (IMP dehydrogenase) inhibitor, a Penicillium metabolite and an environmental contaminant. It is a monocarboxylic acid, a member of phenols, a gamma-lactone and a member of 2-benzofurans. It is functionally related to a hex-4-enoic acid. It is a conjugate acid of a mycophenolate.

CAS Number24280-93-1
PubChem CID446541
IUPAC Name(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
Molecular FormulaC17H20O6
Molecular Weight320.3
XLogP3.2
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity485
SMILES
CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O
InChI
InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
InChIKey
HPNSFSBZBAHARI-RUDMXATFSA-N
Chemical Structure
2D Structure
2D structure of Mycophenolic Acid
CAS: 24280-93-1
CID: 446541
Formula: C17H20O6
MW: 320.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.3
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass320.12598835
Monoisotopic Mass320.12598835
Topological Polar Surface Area93.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity485
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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Alternative Products

CatalogName
FM15781-01Mycophenolic acid

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