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rolapitant

CHEBI:CHEBI_90908

Definition

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.

Chemical Information

Molecular Formula
C25H26F6N2O2
Molecular Mass
500.477
Charge
0
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
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

Alternative Names

  • (5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one
  • rolapitant
  • SCH 619734
  • SCH-619734

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
1665496
oboInOwl#hasDbXref
Reaxys:15570068
core#notation
CHEBI:90908

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
1665496
oboInOwl#hasDbXref
Reaxys:15570068
oboInOwl#id
CHEBI:90908
core#notation
CHEBI:90908
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_55350
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_90913
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect38082
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_90913
owl#annotatedSource
t317804
owl#someValuesFrom
t3291315