Structure via PubChem · Public domain (PubChem)
Aprepitant
Sign in to saveAlso known as 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, 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
organische Verbindung, Arzneistoff, Antiemetikum
Chemical data
- Formula
- C23H21F7N4O3
- Molecular weight
- 534.4 g/mol
- IUPAC name
- 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
- SMILES
- C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
- InChIKey
- ATALOFNDEOCMKK-OITMNORJSA-N
- XLogP
- 4.2
- Polar surface area
- 75.2 Ų
- H-bond donors
- 2
- H-bond acceptors
- 12
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Approved
- Molecule type
- Small molecule
- First approval
- 2003
- Admin. routes
- oral, parenteral
- Indications
- multiple myeloma, non-small cell lung carcinoma, post operative nausea and vomiting, HIV infection
via ChEMBL · EBI
Research
1,461 papers- Aprepitant, fosaprepitant and risk of ifosfamide-induced neurotoxicity: a systematic review.Cancer chemotherapy and pharmacology · 2022
- The efficacy of aprepitant for the prevention of postoperative nausea and vomiting: A meta-analysis.Medicine · 2023
- Aprepitant--a novel NK1-receptor antagonist.Expert opinion on pharmacotherapy · 2003
- Aprepitant and fosaprepitant drug interactions: a systematic review.British journal of clinical pharmacology · 2017
- Aprepitant for the Treatment of Chronic Refractory Pruritus.BioMed research international · 2017
via PubMed
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 534.150188
- Has use
- medication
Show 8 more facts
- subject has role
- NK1 receptor antagonists
- chemical formula
- C₂₃H₂₁F₇N₄O₃
- World Health Organisation international non-proprietary name
- aprepitant
- canonical SMILES
- CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F
- isomeric SMILES
- C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F
- Commons category
- Aprepitant
- defined daily dose
- 150
- significant drug interaction
- rac-warfarin
via Wikidata · CC0
Article · Deutsch
Aprepitant (Handelsname: Emend; Hersteller: MSD Sharp & Dohme) ist ein Arzneistoff aus der Gruppe der Neurokinin-1-Rezeptor-Antagonisten, der als Antiemetikum zur Verhütung von akuter und verzögerter Übelkeit und Erbrechen bei hoch emetogener Chemotherapie eingesetzt wird.
Abstract from DBpedia / Wikipedia · CC BY-SA