(e)-3-[4-(3-benzyl-1-methyl-2,6-dioxo-7h-purin-8-yl)phenyl]prop-2-enoic acid (CHEM326231)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 10:51:28 UTC | ||||||||
| Update Date | 2026-08-30 10:51:28 UTC | ||||||||
| Accession Number | CHEM326231 | ||||||||
| Identification | |||||||||
| Common Name | (e)-3-[4-(3-benzyl-1-methyl-2,6-dioxo-7h-purin-8-yl)phenyl]prop-2-enoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C22H18N4O4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 402.133 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (e)-3-[4-(3-benzyl-1-methyl-2,6-dioxo-7h-purin-8-yl)phenyl]prop-2-enoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CN1C(=O)C2=C(N=C(N2)C3=CC=C(C=C3)C=CC(=O)O)N(C1=O)CC4=CC=CC=C4 | ||||||||
| InChI Identifier | InChI=1S/C22H18N4O4/c1-25-21(29)18-20(26(22(25)30)13-15-5-3-2-4-6-15)24-19(23-18)16-10-7-14(8-11-16)9-12-17(27)28/h2-12H,13H2,1H3,(H,23,24)(H,27,28)/b12-9+ | ||||||||
| InChI Key | IVZGNEYSRNZBTA-FMIVXFBMSA-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 | ||||||||
