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Chemical structure of SCH00013

GC32517

SCH00013

Also known as 4-[1-hydroxy-2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzonitrile

SCH00013 is a cardiotonic agent that primarily acts via an increase in myofibrillar Ca++ sensitivity, have a significant Ca(2+)sensitizing effect at pH 7·2 to 7·4

ChemicalCAS217963-18-3MW324.38FormulaC18H20N4O2
CAS number
217963-18-3
Molecular weight
324.38
Formula
C18H20N4O2
Solubility
Soluble in DMSO
InChIKey
BPEKLIDKLJZYOX-UHFFFAOYSA-N
Catalogue number
GC32517
Brand
GLPBIO
Computed properties PubChem CID 9818684 · XLogP 0.2 · TPSA 88.7 Ų · H-bond donors 2
XLogP
0.2
TPSA
88.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24

SMILES C1CC(=O)NN=C1C2=CCN(CC2)CC(C3=CC=C(C=C3)C#N)O

Computed descriptors from PubChem (CID 9818684), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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