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CAS 115850-11-8

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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-, sodium salt, hydrate (1:1:5), (6R,7R)-

Description:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-, sodium salt, hydrate (1:1:5), (6R,7R)- is a complex chemical compound characterized by its bicyclic structure, which includes both sulfur and nitrogen atoms in its framework. This compound features a carboxylic acid functional group, contributing to its acidic properties, and is further modified with various substituents that enhance its biological activity. The presence of a sodium salt form indicates its solubility in water, which is crucial for its potential applications in pharmaceuticals. The compound's stereochemistry, denoted by the (6R,7R) configuration, suggests specific spatial arrangements that may influence its interaction with biological targets. Additionally, the incorporation of thiadiazole and tetrazole moieties suggests potential antimicrobial or antifungal properties, making it of interest in medicinal chemistry. Overall, this compound exemplifies the intricate design often found in bioactive molecules, combining multiple functional groups and structural features for enhanced efficacy.
Formula:C14H14N8O4S3·5H2O·Na
InChI:InChI=1S/C14H14N8O4S3.Na.5H2O/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;;;;;;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);;5*1H2/t9-,12-;;;;;;/m1....../s1
InChI key:InChIKey=CQCPLXCVNXNUCK-HGUWTHONSA-N
SMILES:C(O)(=O)C=1N2[C@@]([C@H](NC(CN3C=NN=N3)=O)C2=O)(SCC1CSC=4SC(C)=NN4)[H].[Na].O
Synonyms:
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-, monosodium salt, pentahydrate, (6R-trans)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-, sodium salt, hydrate (1:1:5), (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-, monosodium salt, pentahydrate, (6R,7R)-
  • Cefazolin sodium pentahydrate
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