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GSK369796

CAS No.:
1010411-21-8
Catalog Number:
AG008ZUP
Molecular Formula:
C20H24Cl3N3O
Molecular Weight:
428.7831
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
99%
1 week
United States
$240
- +
5mg
99%
1 week
United States
$323
- +
10mg
99%
1 week
United States
$423
- +
50mg
99%
1 week
United States
$1157
- +
100mg
99%
1 week
United States
$1890
- +
Product Description
Catalog Number:
AG008ZUP
Chemical Name:
GSK369796
CAS Number:
1010411-21-8
Molecular Formula:
C20H24Cl3N3O
Molecular Weight:
428.7831
MDL Number:
MFCD16627991
IUPAC Name:
2-[(tert-butylamino)methyl]-5-[(7-chloroquinolin-4-yl)amino]phenol;dihydrochloride
InChI:
InChI=1S/C20H22ClN3O.2ClH/c1-20(2,3)23-12-13-4-6-15(11-19(13)25)24-17-8-9-22-18-10-14(21)5-7-16(17)18;;/h4-11,23,25H,12H2,1-3H3,(H,22,24);2*1H
InChI Key:
UDVALKJFXQVZSI-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nccc2Nc1ccc(c(c1)O)CNC(C)(C)C.Cl.Cl
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.098g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
428.782g/mol
Monoisotopic Mass:
427.098g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis, antimalarial activity, and preclinical pharmacology of a novel series of 4'-fluoro and 4'-chloro analogues of amodiaquine. Identification of a suitable 'back-up' compound for N-tert-butyl isoquine. Journal of medicinal chemistry 20090409
Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for the 21st century. Journal of medicinal chemistry 20090312
Comparative preclinical drug metabolism and pharmacokinetic evaluation of novel 4-aminoquinoline anti-malarials. Journal of pharmaceutical sciences 20090101
Properties