Evategrel (CHEM137732)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 18:18:40 UTC | ||||||||
| Update Date | 2026-05-14 20:49:42 UTC | ||||||||
| Accession Number | CHEM137732 | ||||||||
| Identification | |||||||||
| Common Name | Evategrel | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H26ClNO7S | ||||||||
| Average Molecular Mass | 471.950 g/mol | ||||||||
| Monoisotopic Mass | 471.112 g/mol | ||||||||
| CAS Registry Number | 2760609-74-1 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC(=O)[C@@H](N1CC[C@@H](SCOC(=O)OC(C)C)\C(C1)=C/C(O)=O)C1=C(Cl)C=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C21H26ClNO7S/c1-13(2)30-21(27)29-12-31-17-8-9-23(11-14(17)10-18(24)25)19(20(26)28-3)15-6-4-5-7-16(15)22/h4-7,10,13,17,19H,8-9,11-12H2,1-3H3,(H,24,25)/b14-10-/t17-,19+/m1/s1 | ||||||||
| InChI Key | JIHSKBXKKCQDED-DIJKAEOVSA-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 | ||||||||
