CAS 552292-08-7 appears in our catalog under these names: Rolapitant, 95%, Rolapitant, Rolapitant/ 98.34% (existing batch purity), Rolapitant, 99%, 99%, Rolapitant (Standard). Offered by: Combi-blocks, Chemat Brand, TargetMol, GLPBio, Chemat. Available pack sizes: 100mg, on request, 1mg, 2mg, 5mg, 10mg, 25mg, 50mg.
Rolapitant is an azaspiro compound that is 1,7-diazaspiro[4.5]decan-2-one carrying additional phenyl and 1-{[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl substituents at position 8. Used (in the form of the hydrochloride hydrate) for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy. It has a role as an antiemetic and a neurokinin-1 receptor antagonist. It is an ether, a member of piperidines, an azaspiro compound, an organofluorine compound and a member of pyrrolidin-2-ones. It is a conjugate base of a rolapitant(1+).
Source: ChEBI
| Molecular formula | C25H26F6N2O2 |
|---|---|
| Molecular weight | 500.5 g/mol |
| IUPAC name | (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one |
| InChIKey | FIVSJYGQAIEMOC-ZGNKEGEESA-N |
| SMILES | C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)C4=CC=CC=C4 |
Computed by PubChem (NCBI)