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7-HydroxyBexarotene

7-HydroxyBexarotene structure

CAS No:
368451-10-9
Formula:
C24H28O3
Chemical Name:
7-HydroxyBexarotene
Synonyms:
7-Hydroxy Bexarotene;4-[1-(5,6,7,8-Tetrahydro-7-hydroxy-3,5,5,8,8-pentaMethyl-2-naphthalenyl)ethenyl]benzoic Acid;Benzoic acid, 4-[1-(5,6,7,8-tetrahydro-7-hydroxy-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]-;Bexarotene 7-Hydroxy Impurity

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7-HydroxyBexarotene Basic Attributes

Molecular Weight：

364.48

Exact Mass：

364.20384475

DSSTox ID：

DTXSID00857713

Characteristics

PSA：

57.53000

XLogP3：

5.07450

Density：

1.100±0.06 g/cm3

Boiling Point：

527.7±50.0 °C(Predicted)

PKA：

4.07±0.10

Drug Information

Metabolism/Metabolites：

7-hydroxy-bexarotene is a known human metabolite of Bexarotene.

7-HydroxyBexarotene Use and Manufacturing

A metabolite of Bexarotene (B336750).

Computed Properties

Molecular Weight:364.5
XLogP3:6.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:364.20384475
Monoisotopic Mass:364.20384475
Topological Polar Surface Area:57.5
Heavy Atom Count:27
Complexity:582
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-HydroxyBexarotene

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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