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CAS 119229-00-4

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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-, 4,4′-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (2:1) (salt)

Description:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-, 4,4′-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (2:1) (salt), identified by CAS number 119229-00-4, is a complex organic compound characterized by its bicyclic structure, which incorporates sulfur and nitrogen atoms. This compound features multiple functional groups, including carboxylic acids and amides, contributing to its potential biological activity. The presence of naphthalene derivatives suggests possible interactions with biological systems, potentially influencing pharmacological properties. The stereochemistry indicated by the [2S-[2α,5α,6β(S*)]] notation implies specific spatial arrangements of atoms, which can significantly affect the compound's reactivity and interactions. As a salt, it may exhibit enhanced solubility in aqueous environments, which is crucial for its bioavailability. Overall, this compound's unique structural features and functional groups position it as a candidate for further research in medicinal chemistry and drug development.
Formula:C23H16O6·2C16H19N3O5S
InChI:InChI=1S/C23H16O6.C16H19N3O5S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h1-10,24-25H,11H2,(H,26,27)(H,28,29);3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t;9-,10-,11+,14-/m.1/s1
InChI key:InChIKey=LRXDVBOJGHRNGR-GSUNRZRUSA-N
SMILES:C(O)(=O)[C@@H]1N2[C@@]([C@H](NC([C@H](N)C3=CC=C(O)C=C3)=O)C2=O)(SC1(C)C)[H].C(C=1C2=C(C=C(C(O)=O)C1O)C=CC=C2)C=3C4=C(C=C(C(O)=O)C3O)C=CC=C4
Synonyms:
  • Amoxicillin embonate
  • Amoxicillin embonate (2:1)
  • 2-Naphthalenecarboxylic acid, 4,4′-methylenebis[3-hydroxy-, compd. with [2S-[2α,5α,6β(S*)]]-6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (1:2)
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-, 4,4′-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (2:1) (salt)
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