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54190-76-0,MFCD27952564
Catalog No.:AA00DEUS

54190-76-0 | 2-Hydroxy Imipramine b-D-Glucuronide

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Technical Information
Catalog Number:
AA00DEUS
Chemical Name:
2-Hydroxy Imipramine b-D-Glucuronide
CAS Number:
54190-76-0
Molecular Formula:
C25H32N2O7
Molecular Weight:
472.5308
MDL Number:
MFCD27952564
SMILES:
CN(CCCN1c2ccc(cc2CCc2c1cccc2)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)C
Properties
Properties
 
MP:
>159°C (dec.)  
Storage:
Keep in dry area;-20 ℃;Inert atmosphere;  

Computed Properties
 
Complexity:
680  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
7  
XLogP3:
0.1  

Literature
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SDS
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Tags:54190-76-0 Molecular Formula|54190-76-0 MDL|54190-76-0 SMILES|54190-76-0 2-Hydroxy Imipramine b-D-Glucuronide