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Mycophenolate Dimethylamide

CAT: 1299-RM-M031618-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M031618-01Size:10 mg
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CAS Number
59058-64-9
Synonyms
(E) -6- (4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl) -N, N,4-trimethylhex-4-enamide
Molecular Formula
C19H25NO5
Molecular Weight
347.41
Target Alternative Name
Mycophenolate
Product Name Synonym
(E) -6- (4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl) -N, N,4-trimethylhex-4-enamide

Chemical Information

Mycophenolate Dimethylamide
CAS Number59058-64-9
PubChem CID95198762
IUPAC Name(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N,N,4-trimethylhex-4-enamide
Molecular FormulaC19H25NO5
Molecular Weight347.4
XLogP3.1
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity530
SMILES
CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)N(C)C)O
InChI
InChI=1S/C19H25NO5/c1-11(7-9-15(21)20(3)4)6-8-13-17(22)16-14(10-25-19(16)23)12(2)18(13)24-5/h6,22H,7-10H2,1-5H3/b11-6+
InChIKey
JHEWUGRKJIGBJZ-IZZDOVSWSA-N
Chemical Structure
2D Structure
2D structure of Mycophenolate Dimethylamide
CAS: 59058-64-9
CID: 95198762
Formula: C19H25NO5
MW: 347.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass347.17327290
Monoisotopic Mass347.17327290
Topological Polar Surface Area76.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity530
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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