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Home Other Building Blocks 113627-25-1
113627-25-1,MFCD23160275
Catalog No.:AA008W9I

113627-25-1 | cis (2,3)-Dihydro Tetrabenazine

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  • Technical Information
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Technical Information
Catalog Number:
AA008W9I
Chemical Name:
cis (2,3)-Dihydro Tetrabenazine
CAS Number:
113627-25-1
Molecular Formula:
C19H29NO3
Molecular Weight:
319.4385
MDL Number:
MFCD23160275
SMILES:
COc1cc2c(cc1OC)CCN1[C@H]2C[C@@H](O)[C@H](C1)CC(C)C
Properties
Computed Properties
 
Complexity:
389  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.2  

Literature

Title: Preparation and evaluation of tetrabenazine enantiomers and all eight stereoisomers of dihydrotetrabenazine as VMAT2 inhibitors.

Journal: European journal of medicinal chemistry 20110501

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Tags:113627-25-1 Molecular Formula|113627-25-1 MDL|113627-25-1 SMILES|113627-25-1 cis (2,3)-Dihydro Tetrabenazine