7-Amino-3-(1,2,3-triazol-5-ylthiomethyl)-3-cephem-4-carboxylic Acid

CAS: 37539-03-0

Ref. TR-A630685

Product Information

• Name: 7-Amino-3-(1,2,3-triazol-5-ylthiomethyl)-3-cephem-4-carboxylic Acid
• Synonyms: (6R,7R)-7-Amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, (6R-trans)-, 1H-1,2,3-Triazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv., Cefatrizine Impurity A
• Brand: TRC

Description

Applications 7-Amino-3-(1,2,3-triazol-5-ylthiomethyl)-3-cephem-4-carboxylic Acid is the 2-(triazolylthio)methyl analogue of 7-Aminocephalosporanic Acid (A603415). 7-Amino-3-(1,2,3-triazol-5-ylthiomethyl)-3-cephem-4-carboxylic Acid is used in the preparation of triazole-based semi-synthetic cephalosporins.
References DeMarinis, R.M. et al.: J. Med. Chem., 19, 754 (1976); Valencic, M. et al.: Acta Pharmac., 44, 133 (1994);

Chemical properties

• Molecular weight: 313.36
• Formula: C₁₀H₁₁N₅O₃S₂
• Color/Form: Neat
• InChI: InChI=1S/C10H11N5O3S2/c11-6-8(16)15-7(10(17)18)4(3-20-9(6)15)2-19-5-1-12-14-13-5/h1,6,9H,2-3,11H2,(H,17,18)(H,12,13,14)/t6-,9-/m1/s1
• InChI key: InChIKey=MLOZJRLUNNFSGD-HZGVNTEJSA-N
• SMILES: N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3cn[nH]n3)CS[C@H]12