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
Drug Classification
-
morpholinesView Class →
CHEBI:38785
-
triazolesView Class →
CHEBI:35727
-
(trifluoromethyl)benzenesView Class →
CHEBI:83565
-
cyclic acetalView Class →
CHEBI:59770
-
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
🔍 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