S-[3-[12-(3-acetylsulfanylpropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-oxopropyl] ethanethioate (CHEM329566)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 15:11:48 UTC | ||||||||
| Update Date | 2026-08-30 15:11:48 UTC | ||||||||
| Accession Number | CHEM329566 | ||||||||
| Identification | |||||||||
| Common Name | S-[3-[12-(3-acetylsulfanylpropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-oxopropyl] ethanethioate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C22H38N4O4S2+2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 486.233 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | S-[3-[12-(3-acetylsulfanylpropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-oxopropyl] ethanethioate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)SCCC(=O)N1CC[N+]2(CC1)CC[N+]3(CCN(CC3)C(=O)CCSC(=O)C)CC2 | ||||||||
| InChI Identifier | InChI=1S/C22H38N4O4S2/c1-19(27)31-17-3-21(29)23-5-9-25(10-6-23)13-15-26(16-14-25)11-7-24(8-12-26)22(30)4-18-32-20(2)28/h3-18H2,1-2H3/q+2 | ||||||||
| InChI Key | VREPDBKYGPLZCM-UHFFFAOYSA-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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| 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 | ||||||||
