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CAS 173522-96-8

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Benzoic acid, 2-hydroxy-, compd. with 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone (1:1)

Description:
The chemical substance known as "Benzoic acid, 2-hydroxy-, compd. with 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone (1:1)" with CAS number 173522-96-8 is a complex organic compound that features both benzoic acid and a pyrimidinone derivative. This compound exhibits characteristics typical of both its components, including potential acidity due to the carboxylic acid group in benzoic acid and the presence of functional groups that may contribute to hydrogen bonding and solubility in polar solvents. The oxathiolane ring in the structure suggests potential biological activity, possibly influencing its pharmacological properties. The stereochemistry indicated by the (2R,5S) configuration may also play a crucial role in its interaction with biological targets. Overall, this compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features and potential bioactivity.
Formula:C8H11N3O3S·C7H6O3
InChI:InChI=1S/C8H11N3O3S.C7H6O3/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6;8-6-4-2-1-3-5(6)7(9)10/h1-2,6-7,12H,3-4H2,(H2,9,10,13);1-4,8H,(H,9,10)/t6-,7+;/m0./s1
InChI key:InChIKey=GFZSGYKUKMIFHP-UOERWJHTSA-N
SMILES:O=C1N([C@H]2O[C@@H](CO)SC2)C=CC(N)=N1.C(O)(=O)C1=C(O)C=CC=C1
Synonyms:
  • (2R-Cis)-4-Amino-1-[2-(Hydroxymethyl)-1,3-Oxathiolan-5-Yl]-2(1H)-Pyrimidinone 2-Hydroxybenzoate
  • 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2R-cis)-, mono(2-hydroxybenzoate) (salt)
  • Benzoic acid, 2-hydroxy-, compd. with (2R-cis)-4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone (1:1)
  • Benzoic acid, 2-hydroxy-, compd. with 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone (1:1)
  • Lamivudine salicylate
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