Desmethylnaproxen-6-O-sulfate
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Desmethylnaproxen-6-O-sulfate
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CAS No:
69391-09-9
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Formula:
C13H12O6S
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Chemical Name:
Desmethylnaproxen-6-O-sulfate
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Synonyms:
2-Naphthaleneacetic acid,α-methyl-6-(sulfooxy)-,(αS)-;2-Naphthaleneacetic acid,α-methyl-6-(sulfooxy)-,(S)-;(αS)-α-Methyl-6-(sulfooxy)-2-naphthaleneacetic acid;Desmethylnaproxen-6-O-sulfate;106573-76-6
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CAS No:
Description
Desmethylnaproxen sulfate is a member of the class of naphthalenes that is naproxen in which the methoxy group has been replaced by a sulfooxy group. It has a role as a drug metabolite and a fungal xenobiotic metabolite. It is an aryl sulfate, a member of naphthalenes and a monocarboxylic acid. It derives from a naproxen. It is a conjugate acid of a desmethylnaproxen sulfate anion.
Drug Information
(2s)-2-[6-(Sulfooxy)naphthalen-2-yl]propanoic acid is a known human metabolite of O-Desmethylnaproxen.
Computed Properties
Molecular Weight:296.30
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:296.03545927
Monoisotopic Mass:296.03545927
Topological Polar Surface Area:109
Heavy Atom Count:20
Complexity:454
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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