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4-Hydroxy Duloxetine b-D-Glucuronide is a glucuronide conjugate of 4-Hydroxy Duloxetine, which is a major metabolite of Duloxetine. Duloxetine is an antidepressant medication that functions as a dual serotonin and norepinephrine reuptake inhibitor (SNRI). The glucuronide derivative is characterized by its tan solid appearance and exhibits linear pharmacokinetics in mice without causing significant changes in blood pressure or heart rate.

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  • 741693-83-4 Structure
  • Basic information

    1. Product Name: 4-Hydroxy Duloxetine b-D-Glucuronide
    2. Synonyms: 4-[(1S)-3-(Methylamino)-1-(2-thienyl)propoxy]-1-naphthalenyl b-D-Glucopyranosiduronic Acid;4-Hydroxy Duloxetine b-D-Glucuronide;LY 550408;4-[(1S)-3-(Methylamino)-1-(2-thienyl)propoxy]-1-naphthalenyl -D-Glucopyranosiduronic Acid;4-Hydroxy Duloxetine -D-Glucuronide;DULOXETINE-4-HYDROXY-GLUCURONIDE;4-Hydroxy Duloxetine β-D-Glucuronide SodiuM Salt
    3. CAS NO:741693-83-4
    4. Molecular Formula: C24H27NO8S
    5. Molecular Weight: 489.542
    6. EINECS: N/A
    7. Product Categories: Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Chiral Reagents;Glucuronides;Sulfur & Selenium Compounds
    8. Mol File: 741693-83-4.mol
  • Chemical Properties

    1. Melting Point: >190°C (dec.)
    2. Boiling Point: 781.8°C at 760 mmHg
    3. Flash Point: 426.6°C
    4. Appearance: /
    5. Density: 1.45g/cm3
    6. Vapor Pressure: 9.7E-26mmHg at 25°C
    7. Refractive Index: 1.674
    8. Storage Temp.: -20°C Freezer
    9. Solubility: DMSO (Slightly), Methanol (Slightly, Sonicated)
    10. Stability: Hygroscopic
    11. CAS DataBase Reference: 4-Hydroxy Duloxetine b-D-Glucuronide(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-Hydroxy Duloxetine b-D-Glucuronide(741693-83-4)
    13. EPA Substance Registry System: 4-Hydroxy Duloxetine b-D-Glucuronide(741693-83-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 741693-83-4(Hazardous Substances Data)

741693-83-4 Usage

Uses

Used in Pharmaceutical Industry:
4-Hydroxy Duloxetine b-D-Glucuronide is used as an active pharmaceutical ingredient for the development of antidepressant medications. Its role in the pharmaceutical industry is attributed to its origin as a metabolite of Duloxetine, which is a known SNRI antidepressant. This makes it a potential candidate for further research and development in the treatment of depression and related disorders.
Used in Research and Development:
In the field of scientific research, 4-Hydroxy Duloxetine b-D-Glucuronide serves as a valuable compound for studying the metabolism, pharmacokinetics, and pharmacodynamics of Duloxetine and its metabolites. This understanding can contribute to the optimization of drug dosages, treatment regimens, and the development of new therapeutic strategies for depression and other conditions treated with SNRIs.
Used in Quality Control and Standardization:
4-Hydroxy Duloxetine b-D-Glucuronide is utilized as a reference compound in the quality control and standardization of Duloxetine-containing pharmaceutical products. Its presence helps ensure the consistency, efficacy, and safety of these medications by providing a benchmark for comparison and analysis.
Used in Toxicology and Safety Studies:
This glucuronide derivative is also employed in toxicology and safety studies to evaluate the potential side effects and risks associated with the use of Duloxetine and its metabolites. Understanding the metabolic pathways and the formation of glucuronide conjugates like 4-Hydroxy Duloxetine b-D-Glucuronide can aid in the assessment of drug safety and the development of safer therapeutic alternatives.

Check Digit Verification of cas no

The CAS Registry Mumber 741693-83-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,4,1,6,9 and 3 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 741693-83:
(8*7)+(7*4)+(6*1)+(5*6)+(4*9)+(3*3)+(2*8)+(1*3)=184
184 % 10 = 4
So 741693-83-4 is a valid CAS Registry Number.
InChI:InChI=1/C24H27NO8S/c1-25-11-10-17(18-7-4-12-34-18)31-15-8-9-16(14-6-3-2-5-13(14)15)32-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-9,12,17,19-22,24-28H,10-11H2,1H3,(H,29,30)/t17-,19?,20?,21?,22?,24?/m0/s1

741693-83-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Hydroxy Duloxetine β-D-Glucuronide

1.2 Other means of identification

Product number -
Other names 4-Hydroxy Duloxetine-D-Glucuronide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:741693-83-4 SDS

741693-83-4Downstream Products

741693-83-4Relevant articles and documents

Synthesis and biological activity of some known and putative duloxetine metabolites

Kuo,Gillespie,Kulanthaivel,Lantz,Ma,Nelson,Threlkeld,Wheeler,Yi,Zmijewski

, p. 3481 - 3486 (2007/10/03)

Several putative phase I duloxetine metabolites, 4-hydroxy-, 5-hydroxy-, 6-hydroxy-, 5-hydroxy-6-methoxy-, 6-hydroxy-5-methoxy-, 5,6-dihydroxy-, and 4,6-dihydroxyduloxetine were synthesized, and their phase II metabolite as glucuronide or sulfate conjugates were also synthesized. Their in vitro binding activities were compared to that of parent compound duloxetine.

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