Estriol 16-glucuronide
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Estriol 16-glucuronide
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CAS No:
1852-50-2
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Formula:
C24H32O9
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Chemical Name:
Estriol 16-glucuronide
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Synonyms:
β-D-Glucopyranosiduronic acid,(16α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl;Glucopyranosiduronic acid,3,17β-dihydroxyestra-1,3,5(10)-trien-16α-yl,β-D-;β-D-Glucosiduronic acid,3,17β-dihydroxyestra-1,3,5(10)-trien-16α-yl;Estra-1,3,5(10)-triene-3,17β-diol,16α-(β-D-glucopyranuronosyloxy)-;Estrane,β-D-glucopyranosiduronic acid deriv.;(16α,17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-16-yl β-D-glucopyranosiduronic acid;Estriol 16-glucuronide;Estriol 16-(β-D-glucuronide);Estriol 16α-glucuronide;Estriol 16α-(β-D-glucuronide);Estriol 16α-glucosiduronate;Estriol 16-glucosiduronate;Estriol 16α-monoglucuronide;NSC 93823;125926-21-8;15288-35-4;30137-09-8;82356-48-7
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CAS No:
Description
Solid
Estriol 16-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is estriol in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue. It has a role as a human urinary metabolite. It is a steroid glucosiduronic acid, a beta-D-glucosiduronic acid, a 3-hydroxy steroid, a member of phenols and a 17beta-hydroxy steroid. It derives from an estriol. It is a conjugate acid of an estriol 16-O-(beta-D-glucuronide)(1-).
Safety Information
|Warning|H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P281, P308+P313, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Drug Information
3,17 beta-dihydroxy-1,3,5(10)-estratrien-16 alpha-yl-beta-D-glucopyranosiduronic acid
Estriol 16-glucuronide Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Glucuronides [ST0501]
Computed Properties
Molecular Weight:464.5
XLogP3:1.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:464.20463259
Monoisotopic Mass:464.20463259
Topological Polar Surface Area:157
Heavy Atom Count:33
Complexity:747
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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