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CAS 1192651-80-1

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1-Butanaminium, N,N,N-tributyl-, (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate (1:1)

Description:
1-Butanaminium, N,N,N-tributyl-, (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate (1:1) is a complex organic compound characterized by its unique bicyclic structure, which includes a diazabicyclo framework. This compound features a butylammonium moiety, contributing to its solubility and potential ionic interactions. The presence of an aminocarbonyl group indicates that it may participate in hydrogen bonding and other polar interactions, enhancing its reactivity and potential biological activity. The sulfate component suggests that it may exhibit properties typical of sulfate esters, such as increased solubility in water and potential applications in biological systems. Its stereochemistry, denoted by the (1R,2S,5R) configuration, implies specific spatial arrangements that could influence its interaction with biological targets. Overall, this compound may be of interest in medicinal chemistry or materials science due to its structural complexity and potential functional properties. Further studies would be necessary to elucidate its specific applications and biological effects.
Formula:C23H46N4O6S
InChI:InChI=1S/C16H36N.C7H11N3O6S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h5-16H2,1-4H3;4-5H,1-3H2,(H2,8,11)(H,13,14,15)/q+1;/p-1/t;4-,5+/m.1/s1
InChI key:InChIKey=QPZBFPHXHQWBHR-SJGICDGZSA-M
SMILES:C(N)(=O)[C@H]1[N@@]2C(=O)N(OS(=O)(=O)[O-])[C@@](C2)(CC1)[H].[N+](CCCC)(CCCC)(CCCC)CCCC
Synonyms:
  • 1-Butanaminium, N,N,N-tributyl-, (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate
  • N,N,N-tributyl-1-Butanaminium (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate
  • Tetrabutylammonium(1R,2S,5R)-2-carbamoy1-7-oxo-1,6-diazabicyclo[3.2.1]octan-
  • 6-yl sulfate
  • N,N,N-Tributyl-1-butanaminium ({[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy}sulfonyl)oxidanide
  • (2S,5R)-2-carboxamido-6-sulfooxy-7-oxo-1,6-diazabicyclo[3.2.1]octane tetrabutylammonium salt
  • 1-Butanaminium, N,N,N-tributyl-, (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate (1:1)
  • Tetrabutylammonium(1R,2S,5R)-2-carbamoy1-7-oxo-1,6-diazabicyclo[3.2.1]octan-
  • 6-yl sulfate
  • Tetrabutylammonium(1R,2S,5R)-2-carbamoy1-7-oxo-1,6-diazabicyclo[3.2.1]octan-
  • See more synonyms
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