Perindopril Benzyl Ester - ≥96% , CAS No.122454-52-8

CAS: 122454-52-8 Cat. No.: P341942 Formula: C₂₆H₃₈N₂O₅ Peso molecolare: 458.59 PubChem CID: 14046111

GRADE & PURITY ≥96%

Synonyms

benzyl 1-[2-(1-ethoxycarbonylbutylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate | DTXSID60554973 | Benzyl 1-{2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl}octahydro-1H-indole-2-carboxylate (non-preferred name) | 1-[2-[(1-ethoxy-1-oxopen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Perindopril Benzyl Ester is a derivative of Perindopril.

Specifications

Sinonimi

benzyl 1-[2-(1-ethoxycarbonylbutylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate | DTXSID60554973 | Benzyl 1-{2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl}octahydro-1H-indole-2-carboxylate (non-preferred name) | 1-[2-[(1-ethoxy-1-oxopen

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

488198580

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198580

Sorrisi canonici

CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)OCC3=CC=CC=C3

IUPAC Name

benzyl 1-[2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate

InChIKey

ZNAYHAPFFQRGES-UHFFFAOYSA-N

INCHI

1S/C26H38N2O5/c1-4-11-21(25(30)32-5-2)27-18(3)24(29)28-22-15-10-9-14-20(22)16-23(28)26(31)33-17-19-12-7-6-8-13-19/h6-8,12-13,18,20-23,27H,4-5,9-11,14-17H2,1-3H3

Isomeri SMILES

CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)OCC3=CC=CC=C3

PubChem CID

14046111

Peso molecolare

458.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: Alpha amino acid esters N-acyl-alpha amino acids Alpha amino acid amides Benzyloxycarbonyls Indoles and derivatives Pyrrolidine carboxylic acids N-acylpyrrolidines Fatty acid esters Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Carboxylic acid esters Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha peptide - Alpha-amino acid ester - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Indole or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - N-acylpyrrolidine - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 458.600 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 458.278 Da
• Monoisotopic Mass: 458.278 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 663.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 122454-52-8, the molecular formula is C26H38N2O5, and the molecular weight is 458.59 g/mol. InChIKey ZNAYHAPFFQRGES-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.