CAS 1391052-88-2

8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-bromophenyl)-8-methyl-, methyl ester, hydrochloride (1:1), (1R,2S,3S,5S)-rel-

Description:

8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-bromophenyl)-8-methyl-, methyl ester, hydrochloride (1:1), (1R,2S,3S,5S)-rel- is a complex organic compound characterized by its bicyclic structure, which includes a nitrogen atom in the ring system, contributing to its classification as an azabicyclic compound. The presence of a carboxylic acid moiety indicates potential acidic properties, while the methyl ester suggests it can undergo hydrolysis to release the corresponding acid. The 4-bromophenyl substituent introduces significant lipophilicity and may influence the compound's biological activity. The specific stereochemistry denoted by (1R,2S,3S,5S) indicates the spatial arrangement of atoms, which is crucial for the compound's interaction with biological targets. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, enhancing its potential for pharmaceutical applications. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry.

Formula: C₁₆H₂₀BrNO₂·ClH

InChI: InChI=1/C16H20BrNO2.ClH/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10;/h3-6,12-15H,7-9H2,1-2H3;1H/t12-,13+,14+,15-;/s2

InChI key: InChIKey=GRVPWXKXXKPLCW-MASXBLEANA-N

SMILES: C(OC)(=O)[C@H]1[C@H](C[C@]2(N(C)[C@@]1(CC2)[H])[H])C3=CC=C(Br)C=C3.Cl

Synonyms:

• 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-bromophenyl)-8-methyl-, methyl ester, hydrochloride (1:1), (1R,2S,3S,5S)-rel-

RTI-51 Hydrochloride

Controlled Product

CAS: 1391052-88-2

Applications RTI-51 is a semi-synthetic alkaloid that is part of the phenyltropane group with psychosimulant activity. RTI-51 does not bind to anticocaine catalytic antibodies that are used as potential medication for cocaine abusers and thus can be used simultaneously in treatments.
References Kuhar, M. et al.: Synapse, 41, 176 (2001); Stathis, M. et al.: Psychopharmacology, 119, 376 (1995);

Formula: C₁₆H₂₁BrClNO₂

Color and Shape: Neat

Molecular weight: 374.7

Ref: TR-R701000