Talogreptide mesaroxetan (CHEM137784)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 18:20:45 UTC | ||||||||
| Update Date | 2026-05-14 20:50:26 UTC | ||||||||
| Accession Number | CHEM137784 | ||||||||
| Identification | |||||||||
| Common Name | Talogreptide mesaroxetan | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C86H140N22O18 | ||||||||
| Average Molecular Mass | 1770.202 g/mol | ||||||||
| Monoisotopic Mass | 1769.072 g/mol | ||||||||
| CAS Registry Number | 1801418-23-4 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)NC12CNCCNCC(C)(CNCCNC1)CNCCNC2)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O | ||||||||
| InChI Identifier | InChI=1S/C86H140N22O18/c1-55(2)39-65(70(109)44-75(114)101-66(78(88)116)40-56(3)4)105-83(121)69(43-61-46-95-54-99-61)103-76(115)47-98-84(122)77(57(5)6)107-79(117)58(7)100-81(119)68(42-60-45-97-63-18-13-12-17-62(60)63)106-80(118)64(21-22-71(87)110)104-82(120)67(41-59-15-10-9-11-16-59)102-73(112)23-31-123-33-35-125-37-38-126-36-34-124-32-30-96-72(111)19-14-20-74(113)108-86-51-92-27-24-89-48-85(8,49-90-25-28-93-52-86)50-91-26-29-94-53-86/h9-13,15-18,45-46,54-58,64-70,77,89-94,97,109H,14,19-44,47-53H2,1-8H3,(H2,87,110)(H2,88,116)(H,95,99)(H,96,111)(H,98,122)(H,100,119)(H,101,114)(H,102,112)(H,103,115)(H,104,120)(H,105,121)(H,106,118)(H,107,117)(H,108,113)/t58-,64-,65-,66-,67+,68-,69-,70-,77-,85?,86?/m0/s1 | ||||||||
| InChI Key | SPYWMRXLJVOTHY-RZLLKRBWSA-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 | ||||||||
