5H-1-Pyrindinium, 6,7-dihydro-4-(((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)thio)-1-(carboxymethyl)-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z)))-

Base Information

• Chemical Name: 5H-1-Pyrindinium, 6,7-dihydro-4-(((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)thio)-1-(carboxymethyl)-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z)))-
• CAS No.: 106100-68-9
• Molecular Formula: C24H24 N6 O7 S3
• Molecular Weight: 604.6784

Synonyms:MT 382;106100-68-9;5H-1-Pyrindinium, 6,7-dihydro-4-(((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)thio)-1-(carboxymethyl)-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z)))-

Chemical Property of 5H-1-Pyrindinium, 6,7-dihydro-4-(((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)thio)-1-(carboxymethyl)-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z)))-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 604.08686065
• Heavy Atom Count: 40
• Complexity: 1120

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=C5CCCC5=[N+](C=C4)CC(=O)[O-])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)CSC4=C5CCCC5=[N+](C=C4)CC(=O)[O-])C(=O)O

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