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Home Other Building Blocks ABT-639

ABT-639

CAS No.:
1235560-28-7
Catalog Number:
AG000KSJ
Molecular Formula:
C20H20ClF2N3O3S
Molecular Weight:
455.9059
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$307
- +
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG000KSJ
Chemical Name:
ABT-639
CAS Number:
1235560-28-7
Molecular Formula:
C20H20ClF2N3O3S
Molecular Weight:
455.9059
MDL Number:
MFCD29924737
IUPAC Name:
5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
InChI:
InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1
InChI Key:
AGPIHNZOZNKRGT-CYBMUJFWSA-N
SMILES:
Fc1cc(Cl)c(cc1S(=O)(=O)Nc1ccccc1F)C(=O)N1CCN2[C@@H](C1)CCC2
UNII:
0G7D0CQ88I
Properties
Complexity:
737  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
455.088g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
455.905g/mol
Monoisotopic Mass:
455.088g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
A peripherally acting, selective T-type calcium channel blocker, ABT-639, effectively reduces nociceptive and neuropathic pain in rats. Biochemical pharmacology 20140615
Properties