CAS 80828-32-6

(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid hydrochloride (1:1) (non-preferred name)

Description:

The chemical substance with the name "(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid hydrochloride" and CAS number 80828-32-6 is a complex organic compound characterized by its multi-cyclic structure and specific stereochemistry. It features an octahydroindole core, which is a bicyclic structure that contributes to its biological activity. The presence of an ethoxy group and a phenylbutanoyl moiety indicates potential interactions with biological targets, making it of interest in pharmaceutical research. The hydrochloride salt form suggests enhanced solubility and stability, which are advantageous for drug formulation. This compound may exhibit specific pharmacological properties, potentially acting as an agonist or antagonist in various biological pathways. Its stereochemical configuration is crucial for its activity, as the arrangement of substituents can significantly influence its interaction with biological receptors. Overall, this compound represents a class of molecules that may have therapeutic applications, particularly in the fields of medicinal chemistry and drug development.

Formula: C₂₄H₃₅ClN₂O₅

InChI: InChI=1/C24H34N2O5.ClH/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29;/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29);1H/t16-,18-,19-,20-,21-;/m0./s1

SMILES: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.Cl

Synonyms:

• (2S-(1(R*(R*)),2a,3ab,7ab))-Octahydro-1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-1H-indole-2-carboxylic Acid Monohydrochloride
• (2S,3aS,7aS)-1-(N-((1S)-1-((Ethyloxy)carbonyl)-3-phenylpropyl)-L-alanyl)octahydro-1H-indole-2-carboxylic Acid Hydrochloride
• Sch 31846 hydrochloride

S,S,S,S,S-Trandolapril Hydrochloride

Controlled Product

CAS: 80828-32-6

Formula: C₂₄H₃₄N₂O₅·ClH

Color and Shape: Neat

Molecular weight: 466.998

Ref: TR-T713490

Indolapril hydrochloride

CAS: 80828-32-6

Indolapril hydrochloride is a nonsulfhydryl angiotensin converting enzyme (ACE) inhibitor with antihypertensive activity.

Formula: C₂₄H₃₅ClN₂O₅

Color and Shape: Solid

Molecular weight: 467

Ref: TM-T27608