AC1L83EM
3-(acetyloxymethyl)-8-oxo-7-[[2-(pyridin-4-ylamino)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 3-(acetyloxymethyl)-8-oxo-7-[[2-(pyridin-4-ylamino)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|3-[(Acetyloxy)methyl]-8-oxo-7-{[N-(pyridin-4-yl)glycyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS: 50823-40-0
| Molecular Formula | C17H18N4O6S |
|---|---|
| Molecular Weight | 406.0947 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.0947 |
| Monoisotopic Mass | 406.0947 |
| Heavy Atoms | 28 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 50823-40-0 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CNC3=CC=NC=C3)SC1)C(=O)O |
| InChIKey | KEGDXUASJIDFIU-UHFFFAOYSA-N |
Product Overview
AC1L83EM (CAS 50823-40-0), with molecular formula C17H18N4O6S and molecular weight 406.0947 g/mol. IUPAC: 3-(acetyloxymethyl)-8-oxo-7-[[2-(pyridin-4-ylamino)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
AC1L83EM is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »