Aranotin (CHEM137163)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 17:35:36 UTC | ||||||||
| Update Date | 2026-08-20 05:06:47 UTC | ||||||||
| Accession Number | CHEM137163 | ||||||||
| Identification | |||||||||
| Common Name | Aranotin | ||||||||
| Class | Small Molecule | ||||||||
| Description | Aranotin belongs to the piperazines, a subclass of diazinanes within the organic compounds. It is classified as an organoheterocyclic compound with the formula C20H18N2O7S2. The compound has an average molecular weight of 462.49 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H18N2O7S2 | ||||||||
| Average Molecular Mass | 462.490 g/mol | ||||||||
| Monoisotopic Mass | 462.056 g/mol | ||||||||
| CAS Registry Number | 19885-51-9 | ||||||||
| IUPAC Name | [(1R,4S,5S,12R,15S,16S)-16-hydroxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl] acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@@]12[C@@H](O)C=COC=C1C[C@@]13SS[C@]4(CC5=COC=C[C@H](OC(C)=O)[C@@]5([H])N4C1=O)C(=O)N23 | ||||||||
| InChI Identifier | InChI=1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3/t13-,14-,15+,16+,19-,20-/m0/s1 | ||||||||
| InChI Key | HXWOWBFXYUFFKS-PSJNWGMYSA-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 | ||||||||
