13-cis Acitretin O-β-D-Glucuronide
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13-cis Acitretin O-β-D-Glucuronide
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CAS No:
146090-81-5
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Formula:
C27H34O9
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Chemical Name:
13-cis Acitretin O-β-D-Glucuronide
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Synonyms:
(Z,E,E,E)-1-[9-(4-Methoxy-2,3,6-triMethylphenyl)-3,7-diMethyl-2,4,6,8-nonatetraenoate] β-D-Glucopyranuronic Acid;Isoacitretin Glucuronide;13-cis Acitretin O-β-D-Glucuronide
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CAS No:
13-cis Acitretin O-β-D-Glucuronide Use and Manufacturing
A major metabolite of the synthetic retinoid 13-cis Acritretin (A189925).
Computed Properties
Molecular Weight:502.6
XLogP3:4.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:502.22028266
Monoisotopic Mass:502.22028266
Topological Polar Surface Area:143
Heavy Atom Count:36
Complexity:890
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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