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102418-74-6,MFCD30534131
Catalog No.:AA0007BI

102418-74-6 | Benzoic acid, 4-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-, sodium salt (1:1)

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Purity
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5mg
≥98%
in stock  
$46.00   $32.00
- +
10mg
≥98%
in stock  
$72.00   $50.00
- +
25mg
≥98%
in stock  
$156.00   $109.00
- +
50mg
≥98%
in stock  
$219.00   $153.00
- +
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Technical Information
Catalog Number:
AA0007BI
Chemical Name:
Benzoic acid, 4-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-, sodium salt (1:1)
CAS Number:
102418-74-6
Molecular Formula:
C17H20N3NaO4S
Molecular Weight:
385.4132
MDL Number:
MFCD30534131
SMILES:
O=C(Nc1ccc(cc1)C(=O)[O-])CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2.[Na+]
Properties
Computed Properties
 
Complexity:
528  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
7  

Literature
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SDS
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Tags:102418-74-6 Molecular Formula|102418-74-6 MDL|102418-74-6 SMILES|102418-74-6 Benzoic acid, 4-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-, sodium salt (1:1)