O-DesmethylMycophenolicAcid
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O-DesmethylMycophenolicAcid
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CAS No:
31858-65-8
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Formula:
C16H18O6
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Chemical Name:
O-DesmethylMycophenolicAcid
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Synonyms:
(4E)-6-(1,3-Dihydro-4,6-dihydroxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic Acid;Demethylmycophenolic Acid;Nor-O-methyl Mycophenolic Acid;O-Desmethyl Mycophenolic Acid;Mycophenolic Acid O-DesMethyl IMpurity;Dihydroxy Analogue of Mycophenolic Acid;Mycophenolic Acid O-Desmethyl Impurity/(4E)-6-(1,3-Dihydro-4,6-dihydroxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid;(E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
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CAS No:
O-DesmethylMycophenolicAcid Use and Manufacturing
A metabolite of Mycophenolic acid (phase 1 metabolite).
Computed Properties
Molecular Weight:306.31
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:306.11033829
Monoisotopic Mass:306.11033829
Topological Polar Surface Area:104
Heavy Atom Count:22
Complexity:471
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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