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1852-50-2

1852-50-2 Structure

1852-50-2 Structure
IdentificationBack Directory
[Name]

Estriol-16beta-D-glucopyranosiduronic acid
[CAS]

1852-50-2
[Synonyms]

ESTRIOL 16-GLUCURONIDE
16-Glucuronide-estriol
Estriol D3 glucuronide
Estriol-D6 glucuronide
FQYGGFDZJFIDPU-QKSWUQFVSA-N
Estriol 16-O-β-D-Glucuronide
estriol 16A-(B-D-glucuronide)
ESTRIOL 16ALPHA-(BETA-D-GLUCURONIDE)
oestriol 16alpha-(beta-D-glucuronide)
Estriol-16beta-D-glucopyranosiduronic acid
1,3,5(10)-estratriene-3,16α,17β-triol 16-glucuronide
1,3,5[10]-ESTRATRIENE-3,16ALPHA,17BETA-TRIOL 16-GLUCURONIDE
3,16ALPHA,17BETA-TRIHYDROXY-1,3,5[10]-ESTRATRIENE 16-GLUCURONIDE
1,3,5(10)-ESTRATRIEN-3,16-ALPHA, 17-BETA-TRIOL 16-GLUCOSIDURONATE
3,17b-Dihydroxy-1,3,5(10)-estratrien-16a-yl-beta-D-glucopyranosiduronic acid
β-D-Glucopyranosiduronic acid, (16α,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl
1,3,5(10)-Estratriene-3,16α,17β-triol 16-glucuronide, 3,16α,17β-Trihydroxy-1,3,5(10)-estratriene 16-glucuronide
[Molecular Formula]

C24H32O9
[MDL Number]

MFCD00056554
[MOL File]

1852-50-2.mol
[Molecular Weight]

464.51
Chemical PropertiesBack Directory
[Boiling point ]

738.3±60.0 °C(Predicted)
[density ]

1.51±0.1 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

ethanol: water (1:1): 10mg/mL, clear to very slightly hazy, colorless
[form ]

powder
[pka]

2.82±0.70(Predicted)
[BRN ]

67674
[InChIKey]

FQYGGFDZJFIDPU-JRSYHJKYSA-N
[SMILES]

[H][C@]12CC[C@]3(C)[C@@H](O)[C@@H](C[C@@]3([H])[C@]1([H])CCc4cc(O)ccc24)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H351
[Precautionary statements ]

P281
[Hazard Codes ]

Xn
[Risk Statements ]

40
[Safety Statements ]

36/37
[WGK Germany ]

3
[F ]

3-10
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Carc. 2
Hazard InformationBack Directory
[Uses]

Estriol-d5 16-O-β-D-Glucuronide is the labeled analogue of Estriol 16-O-β-D-Glucuronide (E888965), a glucuronide derivative of Estriol (E888960); a metabolite of Estradiol that is considerably less potent than Estradiol itself.
[Definition]

ChEBI: Estriol 16-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is estriol in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue.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 is functionally related to an estriol. It is a conjugate acid of an estriol 16-O-(beta-D-glucuronide)(1-).
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