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Home Other Building Blocks 192939-72-3
192939-72-3,MFCD23160328
Catalog No.:AA007QZ5

192939-72-3 | N-Hydroxy Melagatran

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Technical Information
Catalog Number:
AA007QZ5
Chemical Name:
N-Hydroxy Melagatran
CAS Number:
192939-72-3
Molecular Formula:
C22H31N5O5
Molecular Weight:
445.5120
MDL Number:
MFCD23160328
SMILES:
ONC(=N)c1ccc(cc1)CNC(=O)[C@@H]1CCN1C(=O)[C@@H](C1CCCCC1)NCC(=O)O
Properties
Computed Properties
 
Complexity:
701  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
9  
XLogP3:
-0.8  

Literature

Title: The fourth molybdenum containing enzyme mARC: cloning and involvement in the activation of N-hydroxylated prodrugs.

Journal: Journal of medicinal chemistry 20081225

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