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CAS 53483-70-8

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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (4-nitrophenyl)methyl ester, monohydrochloride, (6R-trans)-

Description:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (4-nitrophenyl)methyl ester, monohydrochloride, (6R-trans)- is a complex organic compound characterized by its bicyclic structure, which includes a sulfur atom and an azabicyclic framework. This compound features a carboxylic acid functional group, an amino group, and a chloro substituent, contributing to its potential biological activity. The presence of the nitrophenyl methyl ester moiety suggests that it may exhibit specific reactivity or interactions in biological systems. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, enhancing its utility in pharmaceutical applications. The stereochemistry indicated by the (6R-trans)- designation suggests specific spatial arrangements of atoms that may influence its pharmacological properties. Overall, this compound may be of interest in medicinal chemistry, particularly for its potential as a therapeutic agent or as a lead compound in drug development.
Formula:C14H12ClN3O5S·ClH
InChI:InChI=1S/C14H12ClN3O5S.ClH/c15-9-6-24-13-10(16)12(19)17(13)11(9)14(20)23-5-7-1-3-8(4-2-7)18(21)22;/h1-4,10,13H,5-6,16H2;1H/t10-,13-;/m1./s1
InChI key:InChIKey=QUSLYJRJAKKYQP-HTMVYDOJSA-N
SMILES:C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@H](N)C3=O)(SCC2Cl)[H].Cl
Synonyms:
  • 4-nitrobenzyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (4-nitrophenyl)methyl ester, monohydrochloride, (6R-trans)-
  • RC
  • p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate monohydrochloride
  • p-Nitrobenzyl (6R-trans)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate monohydrochloride
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