C23H21F7N4O3
534.4 g/mol
APIWarning
Aprepitant
CAS170729-80-3EC677-636-6
Category
API
Compound Class
Heterocycle
Primary Use
Pharmaceutical Raw Material
Aprepitant is an active pharmaceutical ingredient with a complex molecular structure, noted for its conformational flexibility and studied for its polymorphic forms. Its primary significance lies in pharmaceutical manufacturing as a raw material for antiemetic formulations.
Pharmaceutical raw material for antiemetic drug productionResearch compound in polymorphism studies
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Related Compounds
SimilarStructure SimilarSimilarity 0.73
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SimilarStructure SimilarSimilarity 0.73
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Safety Reference
Warning
H319Causes serious eye irritation
H351Suspected of causing cancer
H373May cause damage to organs through prolonged or repeated exposure
H410Very toxic to aquatic life with long lasting effects
Customs Tariff Classification
The international HS code for Aprepitant (CAS 170729-80-3) is 2934.99.
HS code (international, 6-digit)
2934.99
EU CN code (8-digit)
2934 99 90
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
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
InChIKey
ATALOFNDEOCMKK-OITMNORJSA-N
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
Synonyms (44)
- Aprepitant (JAN/USP/INN)
- Aprepitant, United States Pharmacopeia (USP)
- APREPITANT [MART.]
- Aponvie
- Aponvie (TN)
- Aprepitant
- Aprepitant (MK-0869)
- Aprepitant (Standard)
- Aprepitant - Bio-X trade mark
- Aprepitant CRS
- Aprepitant Impurity I
- Cinvanti
- Cinvanti (TN)
- Emend
- Emend (TN)
- L-754,030
- aprepitant, form I
- aprepitant, form II
- aprepitantum
- eMende
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