CAS 84324-13-0

1H-Indole-2-carboxylic acid, octahydro-, hydrochloride (1:1), (2R,3aR,7aR)-rel-

Description:

1H-Indole-2-carboxylic acid, octahydro-, hydrochloride (1:1), (2R,3aR,7aR)-rel- is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. This specific compound features a carboxylic acid functional group, contributing to its acidic properties. The octahydro designation indicates that the compound has undergone hydrogenation, resulting in a saturated structure that may exhibit different physical and chemical properties compared to its unsaturated counterparts. The hydrochloride form suggests that the compound is in a salt form, which typically enhances its solubility in water and may influence its stability and bioavailability. The stereochemistry indicated by the (2R,3aR,7aR)-rel- notation implies specific spatial arrangements of atoms, which can affect the compound's reactivity and interactions with biological systems. Overall, this compound may have applications in pharmaceuticals or biochemistry, particularly in studies related to indole derivatives and their biological activities.

Formula: C₉H₁₅NO₂·ClH

InChI: InChI=1/C9H15NO2.ClH/c11-9(12)8-5-6-3-1-2-4-7(6)10-8;/h6-8,10H,1-5H2,(H,11,12);1H/t6-,7-,8-;/s2

InChI key: InChIKey=PONAUWFRJYNGAC-JMMWXHOBNA-N

SMILES: C(O)(=O)[C@H]1C[C@@]2([C@](N1)(CCCC2)[H])[H].Cl

Synonyms:

• 1H-Indole-2-carboxylic acid, octahydro-, hydrochloride, (2α,3aβ,7aβ)-
• 1H-Indole-2-carboxylic acid, octahydro-, hydrochloride (1:1), (2R,3aR,7aR)-rel-
• 1H-Indole-2-carboxylic acid, octahydro-, hydrochloride, (2α,3aβ,7aβ)-(±)-

(2R,3aR,7aR)-Octahydroindole-2-carboxylic Acid Hydrochloride

Controlled Product

CAS: 84324-13-0

Applications (2R,3aR,7aR)-Octahydroindole-2-carboxylic Acid Hydrochloride is an intermediate in the synthesis of Perindoprilat (P287530), an angiotensin-converting enzyme (ACE) inhibitor. Antihypertensive.
References Vincent, M., et al.: Drug Design Disc., 9, 11 (1992), Pascard, C., et al.: J. Med. Chem., 34, 663 (1991)

Formula: C₉H₁₅NO₂·HCl

Color and Shape: Neat

Molecular weight: 205.682

Ref: TR-O235985