CAS 27164-45-0

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

Description:

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-, sodium salt (1:1), (6R,7R)- is a complex organic compound characterized by its bicyclic structure, which includes a sulfur atom and an azabicyclic framework. This compound features multiple functional groups, including a carboxylic acid, an acetyloxy group, and a tetrazole moiety, contributing to its potential biological activity. The presence of the sodium salt form indicates its solubility in water, which is often advantageous for pharmacological applications. The stereochemistry, denoted by (6R,7R), suggests specific spatial arrangements of atoms that can influence the compound's interaction with biological targets. This compound may exhibit antimicrobial or therapeutic properties, making it of interest in medicinal chemistry. Its unique structural features and functional groups are likely to play a significant role in its reactivity and biological efficacy.

Formula: C₁₃H₁₄N₆O₆S·Na

InChI: InChI=1S/C13H14N6O6S.Na/c1-6(20)25-3-7-4-26-12-9(11(22)19(12)10(7)13(23)24)15-8(21)2-18-5-14-16-17-18;/h5,9,12H,2-4H2,1H3,(H,15,21)(H,23,24);/t9-,12-;/m1./s1

InChI key: InChIKey=GHBQJJMPXIVTSZ-WYUVZMMLSA-N

SMILES: C(O)(=O)C=1N2[C@@]([C@H](NC(CN3C=NN=N3)=O)C2=O)(SCC1COC(C)=O)[H].[Na]

Synonyms:

• 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-8-oxo-7-((1H-tetrazol-1-ylacetyl)amino)-, monosodium salt, (6R-trans)-
• 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-, acetate (ester), monosodium salt
• 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-, sodium salt (1:1), (6R,7R)-
• Sodium 7-(1H-tetrazol-1-acetamido)cephalosporanate
• sodium (6S,7S)-3-(acetoxymethyl)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• Sodium (6R-trans)-3-(acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

Cefazolin Impurity 36 Sodium Salt

CAS: 27164-45-0

Formula: C₁₃H₁₃N₆O₆S·Na

Color and Shape: White To Off-White Solid

Molecular weight: 381.34 22.99

Ref: 4Z-C-9657

Cefazolin EP Impurity D Sodium Salt

CAS: 27164-45-0

Formula: C₁₃H₁₃N₆O₆S·Na

Color and Shape: White To Off-White Solid

Molecular weight: 381.35 22.99

Ref: 4Z-C-9612

Sodium 7-(1H-Tetrazol-1-acetamido)cephalosporanate

Controlled Product

CAS: 27164-45-0

Applications Sodium 7-(1H-Tetrazol-1-acetamido)cephalosporanate is an impurity of the antibiotic Cefazolin (C242500).
References Kozatani, et al.: Chem. Pharm. Bull., 20, 1105 (1972); Birkhead, H.A., et al.: J. Infect. Dis., 128, 379 (1973); Zappala, A.E., et al.: Anal. Profiles Drug Subs., 4, 1 (1975)

Formula: C₁₃H₁₃N₆NaO₆S

Color and Shape: Neat

Molecular weight: 404.334

Ref: TR-C262505