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419574-04-2,MFCD16251247
Catalog No.:AA00C8YF

419574-04-2 | Aprepitant-M3 Metabolite

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Purity
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Price(USD)
Quantity
  
1mg
3 weeks  
$676.00   $473.00
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Technical Information
Catalog Number:
AA00C8YF
Chemical Name:
Aprepitant-M3 Metabolite
CAS Number:
419574-04-2
Molecular Formula:
C20H16F7NO3
Molecular Weight:
451.3348
MDL Number:
MFCD16251247
SMILES:
O=C1CO[C@@H]([C@@H](N1)c1ccc(cc1)F)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
Properties
Properties
 
Form:
Solid  
MP:
58 - 65°C  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
597  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
4.5  

Literature
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SDS
Tags:419574-04-2 Molecular Formula|419574-04-2 MDL|419574-04-2 SMILES|419574-04-2 Aprepitant-M3 Metabolite