Home Carboxys 1-Azabicyclo[2.2.2]octan-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate butanedioic acid

1-Azabicyclo[2.2.2]octan-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate butanedioic acid

CAS No.:
242478-38-2
Catalog Number:
AG00393T
Molecular Formula:
C27H32N2O6
Molecular Weight:
480.5528
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$87
- +
25mg
98%(HPLC)
In Stock USA
United States
$144
- +
100mg
98%(HPLC)
In Stock USA
United States
$301
- +
500mg
98%(HPLC)
In Stock USA
United States
$1147
- +
Product Description
Catalog Number:
AG00393T
Chemical Name:
1-Azabicyclo[2.2.2]octan-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate butanedioic acid
CAS Number:
242478-38-2
Molecular Formula:
C27H32N2O6
Molecular Weight:
480.5528
MDL Number:
MFCD09952287
IUPAC Name:
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;butanedioic acid
InChI:
InChI=1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21-,22-;/m0./s1
InChI Key:
RXZMMZZRUPYENV-VROPFNGYSA-N
SMILES:
O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2.OC(=O)CCC(=O)O
UNII:
KKA5DLD701
Properties
Complexity:
617  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
480.226g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
480.561g/mol
Monoisotopic Mass:
480.226g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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Properties