9-Methoxy-1,3-dioxo-1H-xantheno[2,1,9-def]isoquinoline-2(3H)-ethanesulphonate acid (CHEM110671)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 22:12:37 UTC | ||||||||
| Update Date | 2026-08-30 03:12:59 UTC | ||||||||
| Accession Number | CHEM110671 | ||||||||
| Identification | |||||||||
| Common Name | 9-Methoxy-1,3-dioxo-1H-xantheno[2,1,9-def]isoquinoline-2(3H)-ethanesulphonate acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H15NO7S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 425.057 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-(9-methoxy-1,3-dioxo-1H-benzo[3,4]isochromeno[7,8,1-def]isoquinolin-2(3H)-yl)ethanesulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=CC2=C(C=C1)OC3=CC=C4C5=C(C=CC2=C35)C(=O)N(C4=O)CCS(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1/C21H15NO7S/c1-28-11-2-6-16-15(10-11)12-3-4-13-18-14(5-7-17(29-16)19(12)18)21(24)22(20(13)23)8-9-30(25,26)27/h2-7,10H,8-9H2,1H3,(H,25,26,27) | ||||||||
| InChI Key | OLYCZVDYVLJVAE-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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
