6'-(Cyclohexylamino)-2'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CHEM091824)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 03:50:27 UTC | ||||||||
| Update Date | 2026-08-31 09:38:46 UTC | ||||||||
| Accession Number | CHEM091824 | ||||||||
| Identification | |||||||||
| Common Name | 6'-(Cyclohexylamino)-2'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 6'-(Cyclohexylamino)-2'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This organoheterocyclic compound has the chemical formula C27H25NO3 and an average molecular weight of 411.50 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H25NO3 | ||||||||
| Average Molecular Mass | 411.501 g/mol | ||||||||
| Monoisotopic Mass | 411.183 g/mol | ||||||||
| CAS Registry Number | 35933-93-8 | ||||||||
| IUPAC Name | 6'-(cyclohexylamino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC2=C(OC3=C(C=CC(NC4CCCCC4)=C3)C22OC(=O)C3=C2C=CC=C3)C=C1 | ||||||||
| InChI Identifier | InChI=1/C27H25NO3/c1-17-11-14-24-23(15-17)27(21-10-6-5-9-20(21)26(29)31-27)22-13-12-19(16-25(22)30-24)28-18-7-3-2-4-8-18/h5-6,9-16,18,28H,2-4,7-8H2,1H3 | ||||||||
| InChI Key | OJMMRJXMDLNRFW-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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| 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 | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
