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72822-01-6,MFCD09841159
Catalog No.:AA005EJ2

72822-01-6 | Pergolide Sulfoxide

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Technical Information
Catalog Number:
AA005EJ2
Chemical Name:
Pergolide Sulfoxide
CAS Number:
72822-01-6
Molecular Formula:
C19H26N2OS
Molecular Weight:
330.4875
MDL Number:
MFCD09841159
SMILES:
CCCN1C[C@H](CS(=O)C)CC2[C@H]1Cc1c[nH]c3c1c2ccc3
Properties
Properties
 
MP:
166 -169°C  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
457  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
2  
XLogP3:
2.6  

Literature
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SDS
Tags:72822-01-6 Molecular Formula|72822-01-6 MDL|72822-01-6 SMILES|72822-01-6 Pergolide Sulfoxide