N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate

Base Information

• Chemical Name: N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate
• CAS No.: 3432-88-0
• Molecular Formula: C13H13 N3 O3 S
• Molecular Weight: 291.331
• European Community (EC) Number: 608-973-9
• UNII: 6YX5PW43MK
• DSSTox Substance ID: DTXSID80187888
• Mol file: 3432-88-0.mol

Synonyms:3432-88-0;Pyca;N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate;UNII-6YX5PW43MK;6YX5PW43MK;Ceftazidime impurity C [EP];N-(7-Aminoceph-3-em-3-ylmethyl)pyridinium-4-carboxylate;(7-Amino-3-(1-pyridylmethyl)-3-cephem-4-carboxylic acid;Ceftazidime pentahydrate impurity C [EP];(6R,7R)-7-Amino-8-oxo-3-((pyridin-1-ium-1-yl)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate;(6R,7R)-7-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;Pyridinium, 1-(((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt;SCHEMBL10592606;DTXSID80187888;ACIOXMJZEFKYHZ-BXKDBHETSA-N;Pyridinium,1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-,inner salt;CEFTAZIDIME IMPURITY C [EP IMPURITY];CS-0166373;A899622;J-019558;Q27265740;CEFTAZIDIME PENTAHYDRATE IMPURITY C [EP IMPURITY];7beta-amino-3-(1-pyridinio-methyl)-3-cephem-4-carboxylate;7beta-amino-3-(1-pyridiniomethyl)-3-cephem-4-carboxylate;(6R, 7R)-7-amino-3-(1-pyridiniomethyl)-3-cephem-4-carboxylate;(6R,7R)-7-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate? (Ceftazidime Impurity;1-{[(6R,7R)-7-AMINO-2-CARBOXYLATO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-EN-3-YL]METHYL}PYRIDIN-1-IUM

Chemical Property of N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate

Chemical Property:

• PSA: 115.64000
• LogP: -1.14130
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 291.06776246
• Heavy Atom Count: 20
• Complexity: 468

Purity/Quality:

98%Min ^*data from raw suppliers

N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])C[N+]3=CC=CC=C3
• Isomeric SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)[O-])C[N+]3=CC=CC=C3
• Uses: 7-Amino-3-(1-pyridylmethyl)-3-cephem-4-carboxylic acid is an impurity of Ceftazidime (C244100). Ceftazidime impurity B.