Terminology Service for NFDI4Health
JSON

rolapitant

Go to external page http://purl.obolibrary.org/obo/CHEBI_90908

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.

Term info

Label

rolapitant

Synonyms
  • (5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one
database cross reference
Subsets

3_STAR

IUPAC NAME
(5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one [ IUPAC ]

INN
rolapitant [ KEGG_DRUG ]

charge

0

formula

C25H26F6N2O2

has obo namespace

chebi_ontology

has related synonym

SCH 619734, rolapitant, SCH-619734

id

CHEBI:90908

inchi

InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1

inchikey

FIVSJYGQAIEMOC-ZGNKEGEESA-N

mass

500.477

monoisotopicmass

500.18985

smiles

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)[C@H](OC[C@@]2(NC[C@]3(CC2)CCC(N3)=O)C4=CC=CC=C4)C