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Istaroxime

CAT: 0013-GTR19203747-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203747-03Size:100 mg
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Description
Istaroxime
CAS Number
203737-93-3
Field of Research
Pharmacology & Drug Discovery
Smiles
C[C@]12CC[C@H]3[C@@H] (CC (=O) [C@H]4C\C (CC[C@]34C) =N\OCCN) [C@@H]1CCC2=O
Molecular Formula
C21H32N2O3
Molecular Weight
360.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Istaroxime

PST-2744 is the (E,Z)-isomer; a positive cardiac inotropic agent; structure in first source

CAS Number203737-93-3
PubChem CID9841834
IUPAC Name(3E,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
Molecular FormulaC21H32N2O3
Molecular Weight360.5
XLogP1.5
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity645
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
InChI
InChI=1S/C21H32N2O3/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/h14-17H,3-12,22H2,1-2H3/b23-13+/t14-,15-,16-,17+,20+,21-/m0/s1
InChIKey
MPYLDWFDPHRTEG-PAAYLBSLSA-N
Chemical Structure
2D Structure
2D structure of Istaroxime
CAS: 203737-93-3
CID: 9841834
Formula: C21H32N2O3
MW: 360.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.5
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass360.24129289
Monoisotopic Mass360.24129289
Topological Polar Surface Area81.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A3507-2Istaroxime
DIA73793-01Istaroxime hydrochloride
HY-15718BIstaroxime (oxalate)
563726Istaroxime HCl
MBS130105-01Istaroxime(PST2744)
T69975-01Istaroxime oxalate
HY-15718A-01Istaroxime (hydrochloride)
A15130-10Istaroxime 10mg
A15130-5Istaroxime 5mg
A15130-1Istaroxime 1mg

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