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Home Deuterated Building Blocks 1132654-54-6
1132654-54-6
Catalog No.:AA01EQ4I

1132654-54-6 | (3aR,4S,7R,7aS)-2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione

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Purity
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Price(USD)
Quantity
  
1mg
≥99% deuterated forms (d1-d8)
in stock  
$652.00   $456.00
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Technical Information
Catalog Number:
AA01EQ4I
Chemical Name:
(3aR,4S,7R,7aS)-2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
CAS Number:
1132654-54-6
Molecular Formula:
C28H28D8N4O2S
Molecular Weight:
500.7253
SMILES:
O=C1N(C[C@@H]2CCCC[C@H]2CN2C([2H])([2H])C([2H])([2H])N(C(C2([2H])[2H])([2H])[2H])c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1
Properties
Computed Properties
 
Complexity:
804  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
6  
Isotope Atom Count:
8  
Rotatable Bond Count:
5  
XLogP3:
5.4  

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SDS
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Tags:1132654-54-6 Molecular Formula|1132654-54-6 MDL|1132654-54-6 SMILES|1132654-54-6 (3aR,4S,7R,7aS)-2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione