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68345-67-5,MFCD00835612
Catalog No.:AA005R55

68345-67-5 | 2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$109.00   $77.00
- +
500mg
95%
in stock  
$181.00   $127.00
- +
1g
95%
in stock  
$315.00   $220.00
- +
2.5g
95%
in stock  
$654.00   $458.00
- +
5g
95%
in stock  
$1,163.00   $814.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA005R55
Chemical Name:
2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CAS Number:
68345-67-5
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD00835612
SMILES:
COc1cc2C(NCCc2cc1OC)CC(=O)O
Properties
Computed Properties
 
Complexity:
297  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-1.5  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:68345-67-5 Molecular Formula|68345-67-5 MDL|68345-67-5 SMILES|68345-67-5 2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid