(12e)-4-chloro-12-(2-methoxyethoxymethylidene)-8-methyl-7,7-dioxo-11-pyridin-2-yl-13-oxa-3,7lambda6-dithia-8,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-trien-10-one (CHEM306856)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 06:44:59 UTC | ||||||||
| Update Date | 2026-08-29 06:44:59 UTC | ||||||||
| Accession Number | CHEM306856 | ||||||||
| Identification | |||||||||
| Common Name | (12e)-4-chloro-12-(2-methoxyethoxymethylidene)-8-methyl-7,7-dioxo-11-pyridin-2-yl-13-oxa-3,7lambda6-dithia-8,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-trien-10-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | (12e)-4-chloro-12-(2-methoxyethoxymethylidene)-8-methyl-7,7-dioxo-11-pyridin-2-yl-13-oxa-3,7lambda6-dithia-8,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-trien-10-one is a chemical compound with the formula C18H16ClN3O6S2. It has an average molecular weight of 469.90 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C18H16ClN3O6S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 469.017 g/mol | ||||||||
| CAS Registry Number | 123253-03-2 | ||||||||
| IUPAC Name | (12e)-4-chloro-12-(2-methoxyethoxymethylidene)-8-methyl-7,7-dioxo-11-pyridin-2-yl-13-oxa-3,7lambda6-dithia-8,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-trien-10-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CN1C2=C(C3=C(S1(=O)=O)C=C(S3)Cl)OC(=COCCOC)N(C2=O)C4=CC=CC=N4 | ||||||||
| InChI Identifier | InChI=1S/C18H16ClN3O6S2/c1-21-15-16(17-11(30(21,24)25)9-12(19)29-17)28-14(10-27-8-7-26-2)22(18(15)23)13-5-3-4-6-20-13/h3-6,9-10H,7-8H2,1-2H3/b14-10+ | ||||||||
| InChI Key | QHBQWKHCXLVGNL-GXDHUFHOSA-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
