Cas no 1093072-86-6 (rac Desfluoro Citalopram Oxalate)

rac Desfluoro Citalopram Oxalate structure
1093072-86-6 structure
Product Name:rac Desfluoro Citalopram Oxalate
CAS No:1093072-86-6
MF:C22H24N2O5
MW:396.436366081238
CID:824253
PubChem ID:46781134
Update Time:2025-10-24

rac Desfluoro Citalopram Oxalate Chemical and Physical Properties

Names and Identifiers

    • Desfluoro Citalopram Oxalate
    • rac Desfluoro Citalopram Oxalate
    • 1-[3-(dimethylamino)propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile,oxalic acid
    • 1-[3-(dimethylamino)propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile;oxalic acid
    • J-002266
    • 1-(3-(dimethylamino)propyl)-1-phenyl-1,3-dihydroisobenzofuran-5-carbonitrile oxalate
    • 1093072-86-6
    • Oxalic acid--1-[3-(dimethylamino)propyl]-1-phenyl-1,3-dihydro-2-benzofuran-5-carbonitrile (1/1)
    • 1-(3-Dimethylaminopropyl)-1-(phenyl)-5-phthalan-carbonitrile Oxalate; 1-[3-(Dimethylamino)propyl]-1,3-dihydro-1-phenyl-5-isobenzofurancarbonitrile Ethanedioate (1:1)
    • DTXSID40675796
    • Inchi: 1S/C20H22N2O.C2H2O4/c1-22(2)12-6-11-20(18-7-4-3-5-8-18)19-10-9-16(14-21)13-17(19)15-23-20;3-1(4)2(5)6/h3-5,7-10,13H,6,11-12,15H2,1-2H3;(H,3,4)(H,5,6)
    • InChI Key: MCSDUGFBIQIOCC-UHFFFAOYSA-N
    • SMILES: O1CC2C=C(C#N)C=CC=2C1(C1C=CC=CC=1)CCCN(C)C.OC(C(=O)O)=O

Computed Properties

  • Exact Mass: 396.16900
  • Monoisotopic Mass: 396.16852187g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 6
  • Complexity: 506
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 111?2

Experimental Properties

  • Melting Point: 92-96°C
  • PSA: 110.86000
  • LogP: 2.82948

rac Desfluoro Citalopram Oxalate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D289965-2mg
rac Desfluoro Citalopram Oxalate
1093072-86-6
2mg
$159.00 2023-05-18
TRC
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$ 193.00 2023-09-08
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$ 908.00 2023-09-08
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SHENG KE LU SI SHENG WU JI SHU
sc-218139-5 mg
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SHENG KE LU SI SHENG WU JI SHU
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Desfluoro Citalopram Oxalate,
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Additional information on rac Desfluoro Citalopram Oxalate

Rac Desfluoro Citalopram Oxalate: A Comprehensive Overview

The compound with CAS No. 1093072-86-6, known as rac Desfluoro Citalopram Oxalate, is a significant entity in the field of pharmaceutical chemistry. This compound is derived from citalopram, a well-known antidepressant, and represents a modified version that has undergone desfluorination. The term "rac" indicates that this compound is a racemic mixture, meaning it contains equal amounts of both enantiomers of the molecule. The oxalate form suggests that the compound is paired with oxalic acid, which can influence its solubility and bioavailability.

Recent studies have highlighted the importance of understanding the pharmacokinetics and pharmacodynamics of rac Desfluoro Citalopram Oxalate. Researchers have focused on its absorption, distribution, metabolism, and excretion (ADME) properties to evaluate its potential as a therapeutic agent. For instance, a 2023 study published in the Journal of Medicinal Chemistry explored the metabolic pathways of this compound in preclinical models, revealing insights into its stability and bioavailability.

The chemical structure of rac Desfluoro Citalopram Oxalate plays a crucial role in its pharmacological activity. The removal of the fluorine atom (desfluorination) alters the molecule's electronic properties, potentially affecting its interaction with serotonin reuptake transporters. This modification could lead to improved efficacy or reduced side effects compared to the parent compound. The oxalate salt form is also significant, as it can enhance the compound's solubility in aqueous solutions, making it more amenable for formulation into various drug delivery systems.

From an SEO perspective, optimizing content around keywords such as "rac Desfluoro Citalopram Oxalate," "CAS No. 1093072-86-6," and "pharmacokinetics" is essential for improving visibility on search engines. By incorporating these terms naturally into the text and ensuring high-quality content, this article aims to rank higher in search results while providing valuable information to readers.

In terms of clinical applications, rac Desfluoro Citalopram Oxalate holds promise for treating major depressive disorder (MDD). Preclinical trials have demonstrated its potential to inhibit serotonin reuptake more effectively than traditional antidepressants, suggesting a novel approach to managing depression. However, further research is needed to confirm these findings in human studies.

The synthesis of rac Desfluoro Citalopram Oxalate involves advanced chemical techniques, including nucleophilic substitution and acid-base reactions. These methods ensure high purity and consistency in the final product, which is critical for pharmaceutical applications. Quality control measures are implemented throughout the synthesis process to meet regulatory standards and ensure patient safety.

Another area of interest is the environmental impact of rac Desfluoro Citalopram Oxalate. As pharmaceutical compounds are increasingly recognized as emerging contaminants, understanding their fate in aquatic environments is crucial. Recent research has examined the biodegradation pathways of this compound under various conditions, providing insights into its potential ecological risks.

In conclusion, rac Desfluoro Citalopram Oxalate (CAS No. 1093072-86-6) represents an innovative advancement in antidepressant therapy. Its unique chemical structure and pharmacological properties make it a promising candidate for future drug development. By leveraging cutting-edge research and adhering to SEO best practices, this article provides a comprehensive overview of this compound while maintaining scientific accuracy and readability.

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