Casopitant (CHEM102941)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 13:36:16 UTC | ||||||||
| Update Date | 2026-08-22 10:15:59 UTC | ||||||||
| Accession Number | CHEM102941 | ||||||||
| Identification | |||||||||
| Common Name | Casopitant | ||||||||
| Class | Small Molecule | ||||||||
| Description | Casopitant is an organic compound with the chemical formula C30H35F7N4O2. Casopitant belongs to the phenylpiperidines, a subclass of piperidines within the organic compounds. With an average molecular weight of 616.62 g/mol, Casopitant is a heavy molecule. This organoheterocyclic compound acts as an antagonist for two recorded protein targets: the Substance-P receptor (TACR1) and Cytochrome P450 3A4 (CYP3A4). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H35F7N4O2 | ||||||||
| Average Molecular Mass | 616.625 g/mol | ||||||||
| Monoisotopic Mass | 616.265 g/mol | ||||||||
| CAS Registry Number | 414910-27-3 | ||||||||
| IUPAC Name | (2R,4S)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@](C)(N(C)C(=O)N1CC[C@@]([H])(C[C@]1([H])C1=CC=C(F)C=C1C)N1CCN(CC1)C(C)=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F | ||||||||
| InChI Identifier | InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1 | ||||||||
| InChI Key | XGGTZCKQRWXCHW-WMTVXVAQSA-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 | ||||||||
