Pyridinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-4-(1H-imidazol-1-yl)-, hydroxide, inner salt, dihydrate, (6R-(6-alpha,7-beta(Z)))-

Base Information

• Chemical Name: Pyridinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-4-(1H-imidazol-1-yl)-, hydroxide, inner salt, dihydrate, (6R-(6-alpha,7-beta(Z)))-
• CAS No.: 107531-06-6
• Molecular Formula: C22H20 N8 O5 S2
• Molecular Weight: 540.5748
• DSSTox Substance ID: DTXSID40148076
• Mol file: 107531-06-6.mol

Synonyms:107531-06-6;Pyridinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-4-(1H-imidazol-1-yl)-, hydroxide, inner salt, dihydrate, (6R-(6-alpha,7-beta(Z)))-;DTXSID40148076;C22H20N8O5S2.2H2O;LS-132206;C22-H20-N8-O5-S2.2H2-O

Chemical Property of Pyridinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-4-(1H-imidazol-1-yl)-, hydroxide, inner salt, dihydrate, (6R-(6-alpha,7-beta(Z)))-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 540.09980812
• Heavy Atom Count: 37
• Complexity: 983

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=CC=C(C=C4)N5C=CN=C5)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=CC=C(C=C4)N5C=CN=C5)C(=O)[O-]