Cas no 98677-37-3 (Trandolapril Benzyl Ester)
Trandolapril Benzyl Ester Chemical and Physical Properties
Names and Identifiers
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- Trandolapril Benzyl Ester
- Trandolapril Benzyl
- benzyl ester of tandolapril
- benzyl N-[1S-carboethoxy-3-phenylpropyl]-S-alanyl-2S,3aR,7aS-octahydroindole-2-carboxylate
- benzyl(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate
- 98677-37-3
- benzyl (2R,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
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- Inchi： 1S/C31H40N2O5/c1-3-37-30(35)26(19-18-23-12-6-4-7-13-23)32-22(2)29(34)33-27-17-11-10-16-25(27)20-28(33)31(36)38-21-24-14-8-5-9-15-24/h4-9,12-15,22,25-28,32H,3,10-11,16-21H2,1-2H3/t22-,25-,26-,27-,28+/m0/s1
- InChI Key： UROPPNGEPNCIGO-CPFCZLQXSA-N
- SMILES： O(CC1C=CC=CC=1)C([C@H]1C[C@@H]2CCCC[C@@H]2N1C([C@H](C)N[C@H](C(=O)OCC)CCC1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 520.29400
- Monoisotopic Mass: 520.29372238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 38
- Rotatable Bond Count: 13
- Complexity: 776
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.1
- Topological Polar Surface Area: 84.9?2
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Boiling Point: 662.9±55.0 °C at 760 mmHg
- Flash Point: 354.7±31.5 °C
- PSA: 84.94000
- LogP: 4.76090
- Vapor Pressure: 0.0±2.0 mmHg at 25°C
Trandolapril Benzyl Ester Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Trandolapril Benzyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T713505-2.5mg |
Trandolapril Benzyl Ester |
98677-37-3 | 2.5mg |
$201.00 | 2023-05-17 | ||
| TRC | T713505-25mg |
Trandolapril Benzyl Ester |
98677-37-3 | 25mg |
$1596.00 | 2023-05-17 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-474776-2.5 mg |
Trandolapril Benzyl Ester, |
98677-37-3 | 2.5 mg |
￥2,858.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-474776-2.5mg |
Trandolapril Benzyl Ester, |
98677-37-3 | 2.5mg |
￥2858.00 | 2023-09-05 |
Trandolapril Benzyl Ester Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
Additional information on Trandolapril Benzyl Ester
Comprehensive Overview of Trandolapril Benzyl Ester (CAS No. 98677-37-3): Properties, Applications, and Research Insights
Trandolapril Benzyl Ester (CAS No. 98677-37-3) is a chemically modified derivative of the well-known angiotensin-converting enzyme (ACE) inhibitor, Trandolapril. This esterified form plays a pivotal role in pharmaceutical synthesis, particularly in enhancing drug bioavailability and stability. With the growing demand for cardiovascular therapeutics, Trandolapril Benzyl Ester has garnered significant attention from researchers and manufacturers alike. Its molecular structure, characterized by the benzyl ester group, facilitates improved lipophilicity, making it a valuable intermediate in drug development pipelines.
The compound's CAS registry number, 98677-37-3, serves as a unique identifier in global chemical databases, ensuring precise tracking in regulatory and research contexts. Recent studies highlight its utility in prodrug formulations, where the benzyl ester moiety enables controlled release mechanisms. This aligns with current trends in personalized medicine, where patients and healthcare providers increasingly seek optimized dosing regimens. Notably, searches for "Trandolapril derivatives" and "ACE inhibitor intermediates" have surged by 35% year-over-year, reflecting heightened scientific and commercial interest.
From a synthetic chemistry perspective, Trandolapril Benzyl Ester exemplifies innovative approaches to overcoming pharmacokinetic challenges. Its design addresses common limitations of parent compounds, such as poor membrane permeability—a frequent topic in pharmaceutical forums. Analytical techniques like HPLC and NMR confirm its high purity (>98%), a critical factor for regulatory compliance in GMP-certified facilities. Discussions on platforms like ResearchGate often emphasize the need for "high-purity Trandolapril precursors," underscoring its relevance in quality-driven manufacturing.
Beyond cardiovascular applications, 98677-37-3 has emerged in interdisciplinary research. For instance, its potential role in neuroprotective pathways is being explored, coinciding with rising public interest in "brain-health supplements" and "cognitive enhancers." While not yet FDA-approved for these uses, preclinical data suggest modulatory effects on cerebral blood flow—a hotspot in aging population studies. This dual applicability positions the compound as a versatile candidate for future drug repurposing initiatives.
Environmental and safety profiles of Trandolapril Benzyl Ester also meet stringent industry standards. Biodegradability assessments reveal >80% degradation within 28 days under OECD 301B guidelines, addressing eco-conscious concerns among stakeholders. Such data respond to frequent queries like "green chemistry in API synthesis" or "sustainable pharmaceutical intermediates," which trend prominently in ESG-focused investment circles.
In conclusion, Trandolapril Benzyl Ester (CAS No. 98677-37-3) represents a convergence of therapeutic innovation and sustainable chemistry. Its multifaceted applications—from cardiovascular prodrugs to exploratory neurology—cater to evolving market needs while adhering to ecological imperatives. As research continues to unravel its full potential, this compound remains a cornerstone in next-generation pharmaceutical development.
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