aprepitant

CHEBI:CHEBI_499361

Definition

A morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors.

Chemical Information

Molecular Formula: C23H21F7N4O3
Molecular Mass: 534.42670
Charge: 0
SMILES: C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
InChIKey: ATALOFNDEOCMKK-OITMNORJSA-N

Alternative Names

3-(((2R,3S)-3-(p-Fluorophenyl)-2-(((alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-Delta(2)-1,2,4-triazolin-5-one
5-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
aprepitant
aprepitantum

Treatment Applications

obsolete colonic ganglioneuroma
DOID:10659

View Disease →
small intestinal vasoactive intestinal peptide producing tumor
DOID:5740

View Disease →

Drug Classification

morpholines
CHEBI:38785

View Class →
triazoles
CHEBI:35727

View Class →
(trifluoromethyl)benzenes
CHEBI:83565

View Class →
cyclic acetal
CHEBI:59770

View Class →
t234439
t234623
t234775
t234898
t234966

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: 358255
oboInOwl#hasDbXref: Wikipedia:Aprepitant
core#notation: CHEBI:499361

Additional References

Wikipedia:Aprepitant

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

oboInOwl#hasOBONamespace: chebi_ontology
DRON_00010000: 358255
oboInOwl#hasDbXref: Wikipedia:Aprepitant
oboInOwl#id: CHEBI:499361
core#notation: CHEBI:499361
RO_0000087: http://purl.obolibrary.org/obo/CHEBI_55351
oboInOwl#inSubset: http://purl.obolibrary.org/obo/chebi#3_STAR
22-rdf-syntax-ns#type: http://www.w3.org/2002/07/owl#Class
has_treatment: http://purl.obolibrary.org/obo/DOID_10780
rdf-schema#range: https://w3id.org/def/predibionto#has_drug_111812
rdf-schema#domain: https://w3id.org/def/predibionto#has_side_effect26660
owl#annotatedSource: t235321
owl#someValuesFrom: t3232868