4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid
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![4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ff6fd534bd2c4128a277f5623181c00a.png "4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid")
4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid
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CAS No:
152764-51-7
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Formula:
C32H37NO8
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Chemical Name:
4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid
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Synonyms:
β-D-Glucopyranosiduronic acid,4-[(1E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl;β-D-Glucopyranosiduronic acid,4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenyl,(E)-;β-D-Glucopyranosiduronic acid,4-[(1E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenyl;4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid;4-Hydroxy-tamoxifen O-β-D-glucuronide;490036-11-8;956414-00-9;1355358-39-2
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CAS No:
4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid Basic Attributes
563.63808
563.64
DTXSID30857842
Characteristics
129
2.9
1.289±0.06 g/cm3(Predicted)
173-176°C
749.5±60.0 °C(Predicted)
Amber Vial, -20°C Freezer, Under Inert Atmosphere
4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid Use and Manufacturing
A glucuronide of (Z)-4-Hydroxy Tamoxifen (or trans-4-hydroxytamoxifen), an active metabolite of Tamoxifen
Computed Properties
Molecular Weight:563.6
XLogP3:2.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:563.25191714
Monoisotopic Mass:563.25191714
Topological Polar Surface Area:129
Heavy Atom Count:41
Complexity:843
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[(1E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenyl β-D-glucopyranosiduronic acid
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