7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione (CHEM286662)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 04:47:24 UTC | ||||||||
| Update Date | 2026-08-28 04:47:24 UTC | ||||||||
| Accession Number | CHEM286662 | ||||||||
| Identification | |||||||||
| Common Name | 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione | ||||||||
| Class | Small Molecule | ||||||||
| Description | 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. It is an organoheterocyclic compound with the formula C14H12ClN5O4 and an average molecular weight of 349.73 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C14H12ClN5O4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 349.058 g/mol | ||||||||
| CAS Registry Number | 477333-76-9 | ||||||||
| IUPAC Name | 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl | ||||||||
| InChI Identifier | InChI=1S/C14H12ClN5O4/c1-17-11-10(12(21)18(2)14(17)22)19(13(16-11)20(23)24)7-8-3-5-9(15)6-4-8/h3-6H,7H2,1-2H3 | ||||||||
| InChI Key | QCABLZVLRKRUIJ-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 | ||||||||
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| 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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
