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CAS 78718-52-2

:

Phenylmethyl 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]benzoate

Description:
Phenylmethyl 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]benzoate, with CAS number 78718-52-2, is a complex organic compound characterized by its multi-functional structure. It features a benzoate moiety, which is an ester derived from benzoic acid, indicating potential applications in pharmaceuticals or as a biochemical probe. The presence of a cyclohexyl group suggests that it may exhibit hydrophobic properties, while the amino and imino functional groups indicate potential for hydrogen bonding and reactivity, which could be relevant in biological systems. The trans configuration of the cyclohexyl derivative may influence its spatial orientation and interactions with biological targets. This compound's intricate structure may contribute to its specificity and efficacy in various applications, particularly in medicinal chemistry, where such compounds are often designed to interact with specific biological pathways or receptors. Overall, the characteristics of this substance suggest it could play a role in drug development or as a research tool in biochemical studies.
Formula:C23H27N3O4
InChI:InChI=1/C23H27N3O4/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17/h1-9,16,18H,10-15H2,(H4,24,25,26)/t16-,18-
InChI key:InChIKey=IAXUQWSLRKIRFR-SAABIXHNNA-N
SMILES:C(OCC1=CC=CC=C1)(=O)C2=C(OC(=O)[C@H]3CC[C@H](CNC(=N)N)CC3)C=CC=C2
Synonyms:
  • Benexate
  • Benzoic acid, 2-[[[4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, trans-
  • Benzoic acid, 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester
  • Benzyl 2-{[(4-{[(Diaminomethylidene)Amino]Methyl}Cyclohexyl)Carbonyl]Oxy}Benzoate
  • Phenylmethyl 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]benzoate
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