CAS 82717-97-3

1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1)

Description:

1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), with the CAS number 82717-97-3, 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 compound features a carboxylic acid group and an ester linkage, indicating it has potential for various chemical reactivity and biological activity. The presence of the octahydro- moiety suggests that it has undergone hydrogenation, resulting in a saturated structure that may influence its solubility and stability. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, which is advantageous for pharmaceutical applications. The phenylmethyl (benzyl) group may enhance its lipophilicity, potentially affecting its interaction with biological membranes. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development.

Formula: C₁₆H₂₁NO₂·ClH

InChI: InChI=1S/C16H21NO2.ClH/c18-16(19-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)17-15;/h1-3,6-7,13-15,17H,4-5,8-11H2;1H

InChI key: InChIKey=WOXVBEWLLZBVSX-UHFFFAOYSA-N

SMILES: C(OCC1=CC=CC=C1)(=O)C2CC3C(N2)CCCC3.Cl

Synonyms:

• Benzyl octahydroindole-2-carboxylate hydrochloride
• 1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1)
• Octahydroindoline-2-carboxylic acid benzyl ester hydrochloride
• 1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride