trans-Ceftibuten

Base Information

• Chemical Name: trans-Ceftibuten
• CAS No.: 97519-40-9
• Molecular Formula: C15H14N4O6S2
• Molecular Weight: 410.43
• DSSTox Substance ID: DTXSID701101600
• Nikkaji Number: J261.893A
• Mol file: 97519-40-9.mol

Synonyms:trans-Ceftibuten;97519-40-9;(E)-Ceftibuten Dihydrate;(6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;(6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxy-but-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;C15-H14-N4-O6-S2;SCHEMBL37055;BIDD:GT0855;SCHEMBL9512124;DTXSID701101600;(6R,7R)-7-((E)-2-(2-Aminothiazol-4-yl)-4-carboxybut-2-enamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;1428117-81-0;(6R,7R)-7-[[(2E)-2-(2-Amino-4-thiazolyl)-4-carboxy-1-oxo-2-buten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Property of trans-Ceftibuten

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 966.4°C at 760 mmHg
• PKA: 2.99±0.50(Predicted)
• Flash Point: 538.3°C
• PSA: 220.68000
• Density: 1.75g/cm³
• LogP: 0.66010
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 410.03547653
• Heavy Atom Count: 27
• Complexity: 755

Purity/Quality:

> 95% ^*data from raw suppliers

TRANS-CEFTIBUTEN 95.00% ^*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)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O
• Isomeric SMILES: C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C/CC(=O)O)/C3=CSC(=N3)N)C(=O)O
• Uses: The E-isomer of Ceftibuten (C244500).