Products 552292-08-7

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.

Structural formula: {0} (CAS {1})

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

Identity
Molecular formulaC25H26F6N2O2
Molecular weight500.5 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
InChIKeyFIVSJYGQAIEMOC-ZGNKEGEESA-N
SMILESC[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)