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442863-80-1,MFCD21363672
Catalog No.:AA00DFGG

442863-80-1 | (R)-Cetirizine N-Oxide

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Technical Information
Catalog Number:
AA00DFGG
Chemical Name:
(R)-Cetirizine N-Oxide
CAS Number:
442863-80-1
Molecular Formula:
C21H25ClN2O4
Molecular Weight:
404.8872
MDL Number:
MFCD21363672
SMILES:
OC(=O)COCCN1(=O)CCN(CC1)[C@@H](c1ccc(cc1)Cl)c1ccccc1
Properties
Properties
 
MP:
>114°C (dec.)  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
485  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
8  
XLogP3:
1.1  

Literature
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Additional Info:
SDS
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Tags:442863-80-1 Molecular Formula|442863-80-1 MDL|442863-80-1 SMILES|442863-80-1 (R)-Cetirizine N-Oxide