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Mycophenolic acid 250mg

CAT: 0628-A10614-250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0628-A10614-250Size:250 mg
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CAS Number
24280-93-1

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
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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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