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Home Other Building Blocks 182507-22-8
182507-22-8,MFCD00946710
Catalog No.:AA0023VE

182507-22-8 | β-D-Glucopyranosiduronic acid, 4-[6-hydroxy-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thien-2-yl]phenyl

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1mg
≥95%
in stock  
$566.00   $396.00
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Technical Information
Catalog Number:
AA0023VE
Chemical Name:
β-D-Glucopyranosiduronic acid, 4-[6-hydroxy-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thien-2-yl]phenyl
CAS Number:
182507-22-8
Molecular Formula:
C34H35NO10S
Molecular Weight:
649.7074
MDL Number:
MFCD00946710
SMILES:
Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O
Properties
Computed Properties
 
Complexity:
1010  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
10  
XLogP3:
2.3  

Literature

Title: Izgelov D, et al. The Effect of Piperine Pro-Nano Lipospheres on Direct Intestinal Phase II Metabolism: The Raloxifene Paradigm of Enhanced Oral Bioavailability. Mol Pharm. 2018 Apr 2;15(4):1548-1555.

Title: Kemp DC, et al. Characterization of raloxifene glucuronidation in vitro: contribution of intestinal metabolism to presystemic clearance. Drug Metab Dispos. 2002 Jun;30(6):694-700.

Title: Yang NN, et al. Estrogen and raloxifene stimulate transforming growth factor-beta 3 gene expression in rat bone: a potential mechanism for estrogen- or raloxifene-mediated bone maintenance. Endocrinology. 1996 May;137(5):2075-84.

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Tags:182507-22-8 Molecular Formula|182507-22-8 MDL|182507-22-8 SMILES|182507-22-8 β-D-Glucopyranosiduronic acid, 4-[6-hydroxy-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thien-2-yl]phenyl