Cefmetazole Impurity 8

Base Information

• Chemical Name: Cefmetazole Impurity 8
• CAS No.: 56796-16-8
• Molecular Formula: C₁₅H₁₇N₃O₇S₂
• Molecular Weight: 415.448
• UNII: RTY3G5R7Y2
• Mol file: 56796-16-8.mol

Synonyms:Cefmetazole Impurity 8;56796-16-8;(6R,7S)-3-(acetyloxymethyl)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;RTY3G5R7Y2;SCHEMBL11520268;(6R,7S)-3-(acetoxymethyl)-7-(2-((cyanomethyl)thio)acetamido)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;3-(acetoxymethyl)-7-(2-((cyanomethyl)thio)acetamido)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[[(cyanomethyl)thio]acetyl]amino]-7-methoxy-8-oxo-, (6R-cis)-

Chemical Property of Cefmetazole Impurity 8

Chemical Property:

• Boiling Point: 760.4±60.0 °C(Predicted)
• PKA: 2.70±0.50(Predicted)
• PSA: 196.63000
• Density: 1.56±0.1 g/cm3(Predicted)
• LogP: -0.15222
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 415.05079224
• Heavy Atom Count: 27
• Complexity: 760

Purity/Quality:

98% ^*data from raw suppliers

7-[[[(Cyanomethyl)thio]acetyl]amino]-7-methoxyCephalosporanicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CSCC#N)OC)SC1)C(=O)O
• Isomeric SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)CSCC#N)OC)SC1)C(=O)O
• Uses: 7-[[[(cyanomethyl)thio]acetyl]amino]-7-Methoxy Cephalosporanic Acid is an metabolite of Cefmetazole (C242850), an semi-synthetic antibiotic derived from Cephamycin. 7-[[[(cyanomethyl)thio]acetyl]amino]-7-Methoxy Cephalosporanic Acid have also shown bactericidal activity in various studies.

Technology Process of Cefmetazole Impurity 8

There total 1 articles about Cefmetazole Impurity 8 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 7β-Cyanomethylthioacetamido-7α-methoxy-3-acetoxymethyl-3-cephem-4-carbonsaeure (56796-16-8)

Guidance literature:

Ester (E-1a), TFA/Anisol;