Dat 582 (CHEM056126)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-26 19:08:54 UTC | ||||||||
| Update Date | 2026-03-26 19:08:54 UTC | ||||||||
| Accession Number | CHEM056126 | ||||||||
| Identification | |||||||||
| Common Name | Dat 582 | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C22H29Cl2N5O | ||||||||
| Average Molecular Mass | 450.410 g/mol | ||||||||
| Monoisotopic Mass | 449.175 g/mol | ||||||||
| CAS Registry Number | 141034-42-6 | ||||||||
| IUPAC Name | N-{(6R)-1-Methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl}-1H-indazole-3-carboxamide--hydrogen chloride (1/2) | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Cl.Cl.CN1CCN(CC2=CC=CC(C)=C2)C[C@@H](C1)NC(=O)C1=NNC2=CC=CC=C12 | ||||||||
| InChI Identifier | InChI=1S/C22H27N5O.2ClH/c1-16-6-5-7-17(12-16)13-27-11-10-26(2)14-18(15-27)23-22(28)21-19-8-3-4-9-20(19)24-25-21;;/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,23,28)(H,24,25);2*1H/t18-;;/m1../s1 | ||||||||
| InChI Key | BDHAPQXDDJQQBI-JPKZNVRTSA-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 | ||||||||
