Imidapril HCl - ≥99% , CAS No.89396-94-1

CAS: 89396-94-1 Cat. No.: I129344 Fórmula: C₂₀H₂₇N₃O₆·HCl Peso molecular: 441.91 Número CE: 685-551-0

GRADE & PURITY ≥99%

Synonyms

3-((2S)-2-((1S)-N-(1-ETHOXYCARBONYL-3-PHENYLPROPYL)AMINO)-PROPIONYL)-1-METHYL-2-OXOIMIDAZOLIDINE-4-CARBOXYLIC ACID, HYDROCHLORIDE-, 4S- | 4-IMIDAZOLIDINECARBOXYLIC ACID, 3-((2S)-2-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)-1-METHYL-2-OXO

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

3-((2S)-2-((1S)-N-(1-ETHOXYCARBONYL-3-PHENYLPROPYL)AMINO)-PROPIONYL)-1-METHYL-2-OXOIMIDAZOLIDINE-4-CARBOXYLIC ACID, HYDROCHLORIDE-, 4S- | 4-IMIDAZOLIDINECARBOXYLIC ACID, 3-((2S)-2-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)-1-METHYL-2-OXO

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

528770885

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770885

Sorrisos canónicos

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CN(C2=O)C)C(=O)O.Cl

IUPAC Name

(4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid;hydrochloride

InChIKey

LSLQGMMMRMDXHN-GEUPQXMHSA-N

INCHI

1S/C20H27N3O6.ClH/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28;/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26);1H/t13-,15-,16-;/m0./s1

SMILES isoméricas

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@@H](CN(C2=O)C)C(=O)O.Cl

WGK Alemanha

3

CAS alternativo

89371-37-9

Peso molecular

441.91

Reaxy-Rn

25795860

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25795860&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Alpha amino acid esters N-acyl-L-alpha-amino acids Alpha amino acid amides N-acyl ureas Aralkylamines Fatty acid esters Imidazolidinones Benzene and substituted derivatives Dicarboxylic acids and derivatives Dicarboximides Carboxylic acid esters Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - Alpha-amino acid ester - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Fatty acid ester - Aralkylamine - Ureide - N-acyl urea - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Fatty acyl - Imidazolidinone - Benzenoid - Dicarboximide - Imidazolidine - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Urea - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Carboxylic acid - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO 88 mg/mL Water 54 mg/mL Ethanol 29 mg/mL
• Sensibilidade: Moisture sensitive
• Rotação específica [α]: -67° (C=1,MeOH)
• Ponto de fusão (°C): 206 °C(dec.)
• Peso molecular: 441.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 441.167 Da
• Monoisotopic Mass: 441.167 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 619.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3