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Istaroxime oxalate

CAT: 0931-T69975-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69975-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
203737-94-4
Target
ATPase, Others
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
Istaroxime, also known as PST-2744, is a positive inotropic agent that mediates its action through inhibition of sodium/potassium adenosine triphosphatase (Na+/K+ ATPase) . Na+/K+ ATPase inhibition increases intracellular sodium levels, which reverses the driving force of the sodium/calcium exchanger, inhibiting calcium extrusion and possibly facilitating calcium entry. Additionally, Istaroxime increases intracellular calcium by improving the efficacy by which intracellular calcium triggers sarcoplasmic reticulum calcium release, and by accelerating the inactivation state of L-type calcium channels, which allow for calcium influx.
Smiles
OC(=O)C(O)=O.[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])CC(CC[C@]12C)=NOCCN
Molecular Formula
C23H34N2O7
Molecular Weight
450.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Istaroxime oxalate
CAS Number203737-94-4
PubChem CID124222603
IUPAC Name(3Z,5S,8R,9S,10R,13S,14S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione;oxalic acid
Molecular FormulaC23H34N2O7
Molecular Weight450.5
Topological Polar Surface Area156
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity717
SMILES
C[C@]12CC/C(=N/OCCN)/C[C@@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C.C(=O)(C(=O)O)O
InChI
InChI=1S/C21H32N2O3.C2H2O4/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20;3-1(4)2(5)6/h14-17H,3-12,22H2,1-2H3;(H,3,4)(H,5,6)/b23-13-;/t14-,15-,16-,17+,20+,21-;/m0./s1
InChIKey
GJLPXHFMMRXIHT-IBLOMREBSA-N
Chemical Structure
2D Structure
2D structure of Istaroxime oxalate
CAS: 203737-94-4
CID: 124222603
Formula: C23H34N2O7
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass450.23660143
Monoisotopic Mass450.23660143
Topological Polar Surface Area156 Ų
Heavy Atom Count32
Formal Charge0
Complexity717
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-15718BIstaroxime (oxalate)
MBS5812518Istaroxime oxalate
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MBS130105-01Istaroxime(PST2744)
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