Annotation Hits
N
Screening or library annotations
Compound
APREPITANT
Synonyms
Aprepitant
In
8 lists
NSID
NS00005871
SMILES
C[C@@H](O[C@@H]1OCCN(CC2=NC(=O)NN2)[C@@H]1c3ccc(F)cc3)c4cc(cc(c4)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)
InChIKey
ATALOFNDEOCMKK-UHFFFAOYSA-N
CAS Number
170729-80-3
2D Structure
RDKit depiction
See compound in other scientific sites:
References
N
Literature / database references
Patents
N
Patent records mentioning this compound
Monoisotopic Mass
N
Placeholder value (update later)
Temporal stripes
Literature stripe
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Patent stripe
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3D Structure
Interactive 3D view based on an RDKit ETKDG conformer (auto-loaded).