Irbesartan-d4


Chemical Name: Irbesartan-d4
CAS Number: 1216883-23-6
Product Number: AG009CIL(AGN-PC-0WH4MP)
Synonyms:
MDL No:
Molecular Formula: C25H24D4N6O
Molecular Weight: 432.5541

Identification/Properties


Computed Properties
Molecular Weight:
432.564g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
432.258g/mol
Monoisotopic Mass:
432.258g/mol
Topological Polar Surface Area:
87.1A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
682
Isotope Atom Count:
4
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Irbesartan-d4 is a deuterated analogue of the pharmaceutical drug Irbesartan. This isotopically labeled compound is commonly used in chemical synthesis for various purposes. Its unique isotopic composition allows researchers to trace the metabolic pathways and mechanisms of action of the parent drug, Irbesartan, with higher precision and accuracy.In chemical synthesis, Irbesartan-d4 serves as a valuable tool in studies involving metabolism, pharmacokinetics, and bioavailability of Irbesartan. By incorporating deuterium into the molecular structure of Irbesartan, researchers can differentiate between the original compound and its metabolites, thereby enabling a more in-depth understanding of drug interactions and efficacy.Moreover, Irbesartan-d4 can also be utilized in the development of analytical methods such as mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy. Its use as a stable isotope tracer enhances the sensitivity and specificity of analytical techniques, facilitating the identification and quantification of Irbesartan and its breakdown products in complex biological samples.Overall, the application of Irbesartan-d4 in chemical synthesis offers a powerful tool for elucidating the pharmacological properties and molecular pathways of Irbesartan, paving the way for advancements in drug discovery and development.