Nicofurate (CHEM136684)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 16:56:30 UTC | ||||||||
| Update Date | 2026-05-14 20:17:29 UTC | ||||||||
| Accession Number | CHEM136684 | ||||||||
| Identification | |||||||||
| Common Name | Nicofurate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C35H28N4O11 | ||||||||
| Average Molecular Mass | 680.626 g/mol | ||||||||
| Monoisotopic Mass | 680.175 g/mol | ||||||||
| CAS Registry Number | 4397-91-5 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC(=O)C1=C(C)OC(=C1)[C@@H](OC(=O)C1=CN=CC=C1)[C@H](OC(=O)C1=CC=CN=C1)[C@@H](COC(=O)C1=CN=CC=C1)OC(=O)C1=CN=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C35H28N4O11/c1-21-26(35(44)45-2)15-27(47-21)29(49-33(42)24-9-5-13-38-18-24)30(50-34(43)25-10-6-14-39-19-25)28(48-32(41)23-8-4-12-37-17-23)20-46-31(40)22-7-3-11-36-16-22/h3-19,28-30H,20H2,1-2H3/t28-,29-,30-/m1/s1 | ||||||||
| InChI Key | BNYZXONJFQJYPC-IDZRBWSNSA-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 | ||||||||
