7-(2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetamido)-3-(imidazo(1,5-a)pyridinium-2-yl)methyl-3-cephem-4-carboxylate

Base Information

• Chemical Name: 7-(2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetamido)-3-(imidazo(1,5-a)pyridinium-2-yl)methyl-3-cephem-4-carboxylate
• CAS No.: 103313-22-0
• Molecular Formula: C21H19 N7 O5 S2
• Molecular Weight: 0
• Nikkaji Number: J445.148A
• Mol file: 103313-22-0.mol

Synonyms:2-AACC;7-(2-(2-aminothiazole-4-yl)-2-methoxyiminoacetamido)-3-(imidazo(1,5-a)pyridinium-2-yl)methyl-3-cephem-4-carboxylate

Chemical Property of 7-(2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetamido)-3-(imidazo(1,5-a)pyridinium-2-yl)methyl-3-cephem-4-carboxylate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 216.09000
• Density: g/cm³
• LogP: -0.57160
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 513.08890908
• Heavy Atom Count: 35
• Complexity: 957

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CN5C=CC=CC5=C4)C(=O)[O-]
• Isomeric SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CN5C=CC=CC5=C4)C(=O)[O-]