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Home Indole and Oxindoles 186204-31-9
186204-31-9,MFCD28900717
Catalog No.:AA01EQBI

186204-31-9 | (3aR,4S,5R,7S,7aS)-rel-2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-5-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione

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Purity
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1mg
≥95%
in stock  
$693.00   $485.00
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Technical Information
Catalog Number:
AA01EQBI
Chemical Name:
(3aR,4S,5R,7S,7aS)-rel-2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-5-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione
CAS Number:
186204-31-9
Molecular Formula:
C28H36N4O3S
Molecular Weight:
508.6754
MDL Number:
MFCD28900717
SMILES:
O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1[C@H]2C(=O)N(C1=O)C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2c1cccc2
Properties
Computed Properties
 
Complexity:
866  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
3.8  

Literature
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SDS
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Tags:186204-31-9 Molecular Formula|186204-31-9 MDL|186204-31-9 SMILES|186204-31-9 (3aR,4S,5R,7S,7aS)-rel-2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-5-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione