3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol (CHEM319219)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 23:59:44 UTC | ||||||||
| Update Date | 2026-08-29 23:59:44 UTC | ||||||||
| Accession Number | CHEM319219 | ||||||||
| Identification | |||||||||
| Common Name | 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol is a chemical compound with the formula C20H24N6O4. It has an average molecular weight of 412.40 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H24N6O4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 412.186 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4N=CN5CC(CO)O | ||||||||
| InChI Identifier | InChI=1S/C20H24N6O4/c27-10-15(28)9-26-12-23-18-19(21-11-22-20(18)26)25-5-3-24(4-6-25)8-14-1-2-16-17(7-14)30-13-29-16/h1-2,7,11-12,15,27-28H,3-6,8-10,13H2 | ||||||||
| InChI Key | QUIHFBYNUQWEOO-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 |
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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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
