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Home Other Building Blocks 1217676-37-3
1217676-37-3,MFCD28899173
Catalog No.:AA01CBSA

1217676-37-3 | Aprepitant-13C2,d2 (Major)

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Technical Information
Catalog Number:
AA01CBSA
Chemical Name:
Aprepitant-13C2,d2 (Major)
CAS Number:
1217676-37-3
Molecular Formula:
C23H19D2F7N4O3
Molecular Weight:
538.4243
MDL Number:
MFCD28899173
SMILES:
C([2H])[C@](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(O[C@H]1OCCN([C@H]1c1ccc(cc1)F)[13CH2][13c]1n[nH]c(=O)[nH]1)[2H]
Properties
Computed Properties
 
Complexity:
810  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
4  
Rotatable Bond Count:
6  
XLogP3:
4.2  

Literature
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SDS
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Tags:1217676-37-3 Molecular Formula|1217676-37-3 MDL|1217676-37-3 SMILES|1217676-37-3 Aprepitant-13C2,d2 (Major)