Derpanicate (CHEM137320)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 17:45:44 UTC | ||||||||
| Update Date | 2026-05-14 20:41:26 UTC | ||||||||
| Accession Number | CHEM137320 | ||||||||
| Identification | |||||||||
| Common Name | Derpanicate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C46H54N8O12S2 | ||||||||
| Average Molecular Mass | 975.100 g/mol | ||||||||
| Monoisotopic Mass | 974.330 g/mol | ||||||||
| CAS Registry Number | 99518-29-3 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)(COC(=O)C1=CC=CN=C1)[C@@H](OC(=O)C1=CC=CN=C1)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](OC(=O)C1=CC=CN=C1)C(C)(C)COC(=O)C1=CC=CN=C1 | ||||||||
| InChI Identifier | InChI=1S/C46H54N8O12S2/c1-45(2,29-63-41(59)31-9-5-15-47-25-31)37(65-43(61)33-11-7-17-49-27-33)39(57)53-19-13-35(55)51-21-23-67-68-24-22-52-36(56)14-20-54-40(58)38(66-44(62)34-12-8-18-50-28-34)46(3,4)30-64-42(60)32-10-6-16-48-26-32/h5-12,15-18,25-28,37-38H,13-14,19-24,29-30H2,1-4H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58)/t37-,38-/m0/s1 | ||||||||
| InChI Key | MEFAKOINNJLWFO-UWXQCODUSA-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 | ||||||||
