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474376-65-3,MFCD03269465
Catalog No.:AA00I8KK

474376-65-3 | 7,10-Methanophenanthridine-2-carboxylic acid, 5,6,6a,7,8,9,10,10a-octahydro-6-phenyl-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
1 week  
$168.00   $117.00
- +
250mg
95%
1 week  
$282.00   $198.00
- +
1g
95%
1 week  
$759.00   $531.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00I8KK
Chemical Name:
7,10-Methanophenanthridine-2-carboxylic acid, 5,6,6a,7,8,9,10,10a-octahydro-6-phenyl-
CAS Number:
474376-65-3
Molecular Formula:
C21H21NO2
Molecular Weight:
319.3969
MDL Number:
MFCD03269465
SMILES:
OC(=O)c1ccc2c(c1)C1C3CCC(C1C(N2)c1ccccc1)C3
Properties
Computed Properties
 
Complexity:
500  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
5  
XLogP3:
4.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:CARATHERAPEUTICS,INC.-US2008/214537,2008,A1Locationinpatent:Page/Pagecolumn6

[1]CurrentPatentAssignee:CARATHERAPEUTICS,INC.-US2008/214537,2008,A1Locationinpatent:Page/Pagecolumn6

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:474376-65-3 Molecular Formula|474376-65-3 MDL|474376-65-3 SMILES|474376-65-3 7,10-Methanophenanthridine-2-carboxylic acid, 5,6,6a,7,8,9,10,10a-octahydro-6-phenyl-