(6r,7r)-3-(acetyloxymethyl)-7-[[2-(5-ethyl-2-nitroimidazol-1-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CHEM303349)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 01:35:34 UTC | ||||||||
| Update Date | 2026-08-29 01:35:34 UTC | ||||||||
| Accession Number | CHEM303349 | ||||||||
| Identification | |||||||||
| Common Name | (6r,7r)-3-(acetyloxymethyl)-7-[[2-(5-ethyl-2-nitroimidazol-1-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C17H19N5O8S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 453.095 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (6r,7r)-3-(acetyloxymethyl)-7-[[2-(5-ethyl-2-nitroimidazol-1-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCC1=CN=C(N1CC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)[N+](=O)[O-] | ||||||||
| InChI Identifier | InChI=1S/C17H19N5O8S/c1-3-10-4-18-17(22(28)29)20(10)5-11(24)19-12-14(25)21-13(16(26)27)9(6-30-8(2)23)7-31-15(12)21/h4,12,15H,3,5-7H2,1-2H3,(H,19,24)(H,26,27)/t12-,15-/m1/s1 | ||||||||
| InChI Key | BAMMVMLMAPBWGW-IUODEOHRSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
