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CAS 145202-66-0

:

1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, benzoate (1:1)

Description:
1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, benzoate (1:1), with CAS number 145202-66-0, is a chemical compound characterized by its complex structure, which includes an indole moiety, a triazole ring, and a benzoate group. This compound typically exhibits properties associated with both indole and triazole derivatives, such as potential biological activity, including antimicrobial or antifungal properties. The presence of the dimethylamino group suggests enhanced lipophilicity, which may influence its pharmacokinetic profile. Additionally, the benzoate moiety can affect solubility and stability in various solvents. The compound may also participate in hydrogen bonding due to the presence of nitrogen atoms in the triazole and indole rings, which can play a crucial role in its interactions with biological targets. Overall, this compound's unique structural features may contribute to its potential applications in medicinal chemistry and drug development, although specific biological activities would require further investigation through experimental studies.
Formula:C15H19N5·C7H6O2
InChI:InChI=1S/C15H19N5.C7H6O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;8-7(9)6-4-2-1-3-5-6/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;1-5H,(H,8,9)
InChI key:InChIKey=JPRXYLQNJJVCMZ-UHFFFAOYSA-N
SMILES:C(CN(C)C)C=1C=2C(NC1)=CC=C(CN3C=NC=N3)C2.C(O)(=O)C1=CC=CC=C1
Synonyms:
  • Rizatriptan benzoate
  • MK 462
  • Maxalt
  • 1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, monobenzoate
  • 1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, benzoate (1:1)
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