Imidapril HCl - 10mM in DMSO , CAS No.89396-94-1

CAS: 89396-94-1 Cat. No.: I426719 Summenformel: C₂₀H₂₇N₃O₆·HCl Molekulargewicht: 441.91 EG-Nummer: 685-551-0

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528770884

Kanonisches Lächeln

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

Isomere SMILES

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 Deutschland

3

Alternative CAS-Nummer

89371-37-9

Molekulargewicht

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
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Peptides
          • Ebene6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Spezifische Drehung [α]: -67° (C=1,MeOH)
• Schmelzpunkt (°C): 206 °C(dec.)
• Molekulargewicht: 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