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SCH00013

CAS No.:
217963-18-3
Catalog Number:
AG00BF7V
Molecular Formula:
C18H20N4O2
Molecular Weight:
324.3770
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$251
- +
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$918
- +
Product Description
Catalog Number:
AG00BF7V
Chemical Name:
SCH00013
CAS Number:
217963-18-3
Molecular Formula:
C18H20N4O2
Molecular Weight:
324.3770
MDL Number:
MFCD30489751
IUPAC Name:
4-[1-hydroxy-2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzonitrile
InChI:
InChI=1S/C18H20N4O2/c19-11-13-1-3-15(4-2-13)17(23)12-22-9-7-14(8-10-22)16-5-6-18(24)21-20-16/h1-4,7,17,23H,5-6,8-10,12H2,(H,21,24)
InChI Key:
BPEKLIDKLJZYOX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(CN1CCC(=CC1)C1=NNC(=O)CC1)O
Properties
Complexity:
581  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.159g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
324.384g/mol
Monoisotopic Mass:
324.159g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Cardiac Ca2+ signaling and Ca2+ sensitizers. Circulation journal : official journal of the Japanese Circulation Society 20081201
SCH00013, a novel Ca(2+) sensitizer with positive inotropic and no chronotropic action in heart failure. Journal of pharmacological sciences 20050101
Investigation on SCH00013, a novel cardiotonic agent with Ca++ sensitizing action. 4th communication: influence on experimentally induced ventricular arrhythmia in dogs. Arzneimittel-Forschung 19990501
Properties