3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester
tert-butyl (6R,7S)-3-(acetyloxymethyl)-7-chloro-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Amcccdb|3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester|tert-butyl (6R,7S)-3-(acetyloxymethyl)-7-chloro-5,5,8-trioxo-5|t-butyl 7alpha-chloro-3-acetoxymethyl-3-cephem-4-carboxylate-1,1-dioxide|tert-butyl (6R,7S)-3-(acetyloxymethyl)-7-chloro-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|3-Acetoxymethyl-7-chloro-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester|5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-chloro-8-oxo-, 1,1-dimethylethyl ester, 5,5-doxide, (6R-cis)-|tert-Butyl (6R,7S)-3-[(acetyloxy)methyl]-7-chloro-5,5,8-trioxo-5lambda~6~-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|tert-Butyl 3-[(acetyloxy)methyl]-7-chloro-5,5,8-trioxo-5lambda~6~-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
| Molecular Formula | C14H18ClNO7S |
|---|---|
| Molecular Weight | 379.04926 g/mol |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.04926 |
| Monoisotopic Mass | 379.04926 |
| Heavy Atoms | 24 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 95672-01-8 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)Cl)S(=O)(=O)C1)C(=O)OC(C)(C)C |
| InChIKey | QVPFKKWKDKAYSA-JOYOIKCWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester (CAS 95672-01-8), with molecular formula C14H18ClNO7S and molecular weight 379.04926 g/mol. IUPAC: tert-butyl (6R,7S)-3-(acetyloxymethyl)-7-chloro-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester is a custom synthesis product. We offer services from milligram to kilogram scale.
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