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CAS 136676-91-0

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S-(+)-1-[(4-(Dimethylamino)-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrate di(trifluoroacetate) salt

Description:
S-(+)-1-[(4-(Dimethylamino)-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrate di(trifluoroacetate) salt, with CAS number 136676-91-0, is a complex organic compound characterized by its unique imidazopyridine structure, which incorporates a tetrahydro framework. This substance features a carboxylic acid functional group, contributing to its acidic properties, and is further modified by the presence of a dimethylamino group and diphenylacetyl moiety, which may influence its pharmacological activity. The trifluoroacetate salt form suggests enhanced solubility and stability, making it suitable for various applications, particularly in medicinal chemistry. The compound's chirality, indicated by the S-(+) designation, implies that it may exhibit specific biological activity, potentially affecting its interaction with biological targets. Overall, this compound's intricate structure and functional groups suggest potential utility in drug development, particularly in the context of neuropharmacology or as a therapeutic agent.
Formula:C31H32N4O32C2HF3O2
InChI:InChI=1S/C31H32N4O3.2C2HF3O2/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24;2*3-2(4,5)1(6)7/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38);2*(H,6,7)/t28-;;/m0../s1
InChI key:GPKQIEZLHVGJQH-ZXVJYWQYSA-N
SMILES:CC1=C(C=CC(=C1)CN2C=NC3=C2C[C@H](N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N(C)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
Synonyms:
  • PD 123,319 hydrate di(trifluoroacetate) salt
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