CAS 34214-51-2

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, sodium salt, hydrate (1:1:1), (2S,5R,6R)-

Description:

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, with the CAS number 34214-51-2, is a complex organic compound characterized by its bicyclic structure that incorporates sulfur and nitrogen atoms. This compound features a carboxylic acid functional group, which contributes to its acidity and potential reactivity. The presence of a sodium salt indicates that it is likely soluble in water, enhancing its bioavailability in pharmaceutical applications. The compound also contains a chlorinated and fluorinated phenyl group, which may influence its biological activity and pharmacokinetics. The isoxazole moiety adds to its structural diversity and may play a role in its interaction with biological targets. The specific stereochemistry, indicated by the (2S,5R,6R) configuration, suggests that the compound may exhibit chirality, potentially affecting its biological properties. Overall, this compound is of interest in medicinal chemistry, particularly for its potential therapeutic applications, and its unique structural features may contribute to its efficacy and safety profile in drug development.

Formula: C₁₉H₁₇ClFN₃O₅S·H₂O·Na

InChI: InChI=1S/C19H17ClFN3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/t13-,14+,17-;;/m1../s1

InChI key: InChIKey=JTIJQYXJQSAQAQ-VICXVTCVSA-N

SMILES: C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(=O)C=3C(=NOC3C)C4=C(Cl)C=CC=C4F)C2=O)(SC1(C)C)[H].[Na].O

Synonyms:

• 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate
• 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate, (2S,5R,6R)-
• 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate, [2S-(2α,5α,6β)]-
• 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, sodium salt, hydrate (1:1:1), (2S,5R,6R)-
• 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-,monosodium salt, monohydrate (8CI)
• 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-,monosodium salt, monohydrate, [2S-(2a,5a,6b)]-
• Sodium flucloxacillin monohydrate
• Sodium flucloxacillinmonohydrate

Flucloxacillin Sodium Hydrate

Controlled Product

CAS: 1847-24-1, 34214-51-2

Color and Shape: Neat

Ref: 86-MM0489.00