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Home Amines 42399-54-2
42399-54-2,MFCD00069252
Catalog No.:AA00D74A

42399-54-2 | (2R-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride

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Purity
Availability
Price(USD)
Quantity
  
5mg
≥97%
in stock  
$288.00   $202.00
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Technical Information
Catalog Number:
AA00D74A
Chemical Name:
(2R-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride
CAS Number:
42399-54-2
Molecular Formula:
C22H27ClN2O4S
Molecular Weight:
450.9788
MDL Number:
MFCD00069252
SMILES:
COc1ccc(cc1)[C@H]1Sc2ccccc2N(C(=O)[C@H]1OC(=O)C)CCN(C)C.Cl
Properties
Computed Properties
 
Complexity:
565  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
7  

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SDS
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Tags:42399-54-2 Molecular Formula|42399-54-2 MDL|42399-54-2 SMILES|42399-54-2 (2R-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride