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Home Other Building Blocks 171598-74-6
171598-74-6,MFCD24386549
Catalog No.:AA00ABI6

171598-74-6 | Nbi-98854

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
3 weeks  
$522.00   $365.00
- +
50mg
>98.00%
3 weeks  
$2,597.00   $1,818.00
- +
100mg
3 weeks  
$2,873.00   $2,011.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00ABI6
Chemical Name:
Nbi-98854
CAS Number:
171598-74-6
Molecular Formula:
C19H29NO3
Molecular Weight:
319.4385
MDL Number:
MFCD24386549
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

Title: Novel hypoglycemic dihydropyridones serendipitously discovered from O- versus C-alkylation in the synthesis of VMAT2 antagonists.

Journal: Bioorganic & medicinal chemistry letters 20080915

Title: Kilbourn M, et al. Binding of alpha-dihydrotetrabenazine to the vesicular monoamine transporter is stereospecific. Eur J Pharmacol. 1995 May 24;278(3):249-52.

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SDS
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Tags:171598-74-6 Molecular Formula|171598-74-6 MDL|171598-74-6 SMILES|171598-74-6 Nbi-98854