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94731-13-2,MFCD28124040
Catalog No.:AA006S9T

94731-13-2 | 4-Hydroxy Propranolol β-D-Glucuronide

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Purity
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1mg
≥90%
in stock  
$418.00   $292.00
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Technical Information
Catalog Number:
AA006S9T
Chemical Name:
4-Hydroxy Propranolol β-D-Glucuronide
CAS Number:
94731-13-2
Molecular Formula:
C22H29NO9
Molecular Weight:
451.4670
MDL Number:
MFCD28124040
SMILES:
OC(COc1ccc(c2c1cccc2)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)CNC(C)C
Properties
Properties
 
Form:
Solid  
MP:
175 - 177°C  
Storage:
-20 ℃;Keep in dry area;  

Computed Properties
 
Complexity:
606  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
6  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-1.3  

Literature
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SDS
Tags:94731-13-2 Molecular Formula|94731-13-2 MDL|94731-13-2 SMILES|94731-13-2 4-Hydroxy Propranolol β-D-Glucuronide