Atumelnant (CHEM137862)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 18:24:03 UTC | ||||||||
| Update Date | 2026-05-14 20:52:43 UTC | ||||||||
| Accession Number | CHEM137862 | ||||||||
| Identification | |||||||||
| Common Name | Atumelnant | ||||||||
| Class | Small Molecule | ||||||||
| Description | Atumelnant belongs to the piperazines, a subclass of diazinanes within the organic compounds. It is classified as an organoheterocyclic compound with the chemical formula C33H42F3N5O3. With an average molecular weight of 613.73 g/mol, Atumelnant is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C33H42F3N5O3 | ||||||||
| Average Molecular Mass | 613.726 g/mol | ||||||||
| Monoisotopic Mass | 613.324 g/mol | ||||||||
| CAS Registry Number | 2392970-97-5 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC1=CC=CC=C1C1=NC(C(=O)N[C@@H]2CN3CCC2CC3)=C(C=C1)N1CCN(C[C@H]1CC)C(=O)C1(CCC1)C(F)(F)F | ||||||||
| InChI Identifier | InChI=1S/C33H42F3N5O3/c1-3-23-20-40(31(43)32(14-7-15-32)33(34,35)36)18-19-41(23)27-11-10-25(24-8-5-6-9-28(24)44-4-2)37-29(27)30(42)38-26-21-39-16-12-22(26)13-17-39/h5-6,8-11,22-23,26H,3-4,7,12-21H2,1-2H3,(H,38,42)/t23-,26-/m0/s1 | ||||||||
| InChI Key | QJRFBKYETDVAJQ-ZEQKJWHPSA-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 | ||||||||
