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CAS 145641-35-6

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(2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid phenylmethyl ester hydrochloride

Description:
(2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid phenylmethyl ester hydrochloride is a chemical compound characterized by its complex bicyclic structure, which includes an indole moiety. This compound features a carboxylic acid functional group that is esterified with a phenylmethyl group, contributing to its lipophilicity and potential biological activity. The presence of the hydrochloride salt form indicates that it is a hydrochloride salt, which often enhances solubility in aqueous solutions, making it suitable for various pharmaceutical applications. The stereochemistry, denoted by the (2S,3aR,7aS) configuration, suggests specific spatial arrangements of atoms that can influence the compound's interaction with biological targets, potentially affecting its pharmacological properties. This compound may be of interest in medicinal chemistry for its potential therapeutic applications, particularly in the development of drugs targeting neurological or psychological conditions, given the structural similarities to other indole derivatives known for their biological activity.
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/t13-,14+,15+;/m1./s1
InChI key:InChIKey=WOXVBEWLLZBVSX-DSMRVHDJSA-N
SMILES:C(OCC1=CC=CC=C1)(=O)[C@@H]2C[C@@]3([C@@](N2)(CCCC3)[H])[H].Cl
Synonyms:
  • 1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2S,3aR,7aS)-
  • 1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride, (2S,3aR,7aS)-
  • 1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride, [2S-(2α,3aα,7aβ)]-
  • Benzyl (2S,3aR,7aS)-octahydroindole-2-carboxylate hydrochloride
  • Benzyl (2beta,3alphar,7alphas)-Octahydro-Indole-2-Carboxylate Hydrochloride
  • Benzyl(2beta,3alphar,7alphas)octahydrindole-2-carboxylatehydrochloride
  • benzyl (2S,3aR,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride (1:1)
  • (2S,3aR,7aS)-benzyl octahydro-1H-indole-2-carboxylate hydrochloride
  • benzyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate,hydrochloride
  • benzyl (2S,3aR,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride
  • See more synonyms
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