4-[(4-Chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one (CHEM098992)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 10:15:32 UTC | ||||||||
| Update Date | 2026-04-05 10:15:32 UTC | ||||||||
| Accession Number | CHEM098992 | ||||||||
| Identification | |||||||||
| Common Name | 4-[(4-Chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-[(4-Chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one belongs to the isoquinolones and derivatives, a subclass of isoquinolines and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C25H15ClN2OS and an average molecular weight of 426.92 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C25H15ClN2OS | ||||||||
| Average Molecular Mass | 426.920 g/mol | ||||||||
| Monoisotopic Mass | 426.059 g/mol | ||||||||
| CAS Registry Number | 97416-78-9 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC2=C(C=C1)N1C(=N2)C2=CC=CC3=C(SC4=CC=C(Cl)C=C4)C=CC(C1=O)=C23 | ||||||||
| InChI Identifier | InChI=1/C25H15ClN2OS/c1-14-5-11-21-20(13-14)27-24-18-4-2-3-17-22(30-16-8-6-15(26)7-9-16)12-10-19(23(17)18)25(29)28(21)24/h2-13H,1H3 | ||||||||
| InChI Key | SDEFOKDRSRTRMA-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 | ||||||||
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| 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 | ||||||||
