Amoxicillin open ring dimer

Base Information

• Chemical Name: Amoxicillin open ring dimer
• CAS No.: 73590-06-4
• Molecular Formula: C32H38N6O10S2
• Molecular Weight: 730.80800
• European Community (EC) Number: 815-068-4
• UNII: DY5TTZ57P2
• DSSTox Substance ID: DTXSID301098247
• Mol file: 73590-06-4.mol

Synonyms:Amoxicillin open ring dimer;Amoxicillin dimer;73590-06-4;DY5TTZ57P2;73590-06-4 (sodium);(2S,5R,6R)-6-((2R)-2-(2-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-2-((4S)-4-carboxy-5,5-dimethylthiazolidin-2-yl)acetamido(-2-(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;(2R)-(2R)-2-(4-Hydroxyphenyl)glycyl-(2S)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-(4-hydroxyphenyl)glycinamide Sodium Salt;(2S,5R,6R)-6-((R)-2-((R)-2-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-2-((2R,4S)-4-carboxy-5,5-dimethylthiazolidin-2-yl)acetamido)-2-(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;UNII-DY5TTZ57P2;DTXSID301098247;CS-0164238;Q27276668;(2S,5R,6R)-6-((R)-2-((R)-2-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-2-((2R,4S)-4-carboxy-5,5-dimethylthiazolidin-2-yl)acetamido)-2-(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid (Amoxicillin Impurity pound(c);Glycinamide, (2R)-2-(4-hydroxyphenyl)glycyl-(2S)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-(4-hydroxyphenyl)-, (2R)-

Chemical Property of Amoxicillin open ring dimer

Chemical Property:

• Boiling Point: 1188.9±65.0 °C(Predicted)
• PKA: 1.93±0.60(Predicted)
• PSA: 311.32000
• Density: 1.59±0.1 g/cm3(Predicted)
• LogP: 2.10560
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 11
• Exact Mass: 730.20908378
• Heavy Atom Count: 50
• Complexity: 1370

Purity/Quality:

≧95%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C(NC(S1)C(C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O)NC(=O)C(C5=CC=C(C=C5)O)N)C(=O)O)C
• Isomeric SMILES: CC1([C@@H](N[C@H](S1)[C@@H](C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O)NC(=O)[C@@H](C5=CC=C(C=C5)O)N)C(=O)O)C