Discuss This Drug

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

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

core#notation
CHEBI:499361
DRON_00010000
358255
oboInOwl#hasDbXref
Wikipedia:Aprepitant

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

core#notation
CHEBI:499361
pharm_class_moa
Neurokinin 1 Antagonists [MoA]
pharm_class
Neurokinin 1 Antagonists [MoA]
nui
N0000185507
pharm_class_epc
Substance P/Neurokinin-1 Receptor Antagonist [EPC]
upc
0368462583401
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
listing_expiration_date
20241231
route
INTRAVENOUS
marketing_start_date
20070328
spl_id
0bfa58e2-e482-dd75-e063-6394a90ab3a2
package_ndc
50370-0022-1
labeler_name
Merck Sharp & Dohme LLC
rxcui
1995155
active_ingredient_strength
130 mg/18mL
package_marketing_start_date
28-MAR-07
manufacturer_name
Glenmark Pharmaceuticals Inc., USA
package_description
60 kg in 1 DRUM (50370-0022-1)
unii
1NF15YR6UY
spl_set_id
4c218d3a-a508-4abc-9ed8-a6e8e191d1b4
active_ingredient_name
APREPITANT
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
oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
358255
generic_name
APREPITANT
oboInOwl#hasDbXref
Wikipedia:Aprepitant
oboInOwl#id
CHEBI:499361
dosage_form
INJECTION, EMULSION
product_type
BULK INGREDIENT
marketing_category
BULK INGREDIENT
brand_name
CINVANTI
brand_name_base
CINVANTI
product_ndc
50370-0022
application_number
NDA209296
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_55351
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR