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F15845 HBr

CAT: 0013-GTR19211473-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211473-01Size:25 mg
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Description
F15845 is a selective, persistent sodium current (INaP) blocker of Nav1.5 channels, demonstrating cardioprotective efficacy in models of cardiac ischemia and hypoxia. Its extracellular site of action and minimal impact on other major cardiac ion channels underlie its favorable profile in both in vitro electrophysiology and in vivo studies of myocardial injury.
CAS Number
866760-23-8
Smiles
N (C[C@@H] (CSC1=C (OC) C=CC=C1) C) [C@@H]2COC=3C (SC2) =CC=CC3.Br
Molecular Formula
C20H26BrNO2S2
Molecular Weight
456.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

F-15845
CAS Number866760-23-8
PubChem CID72941926
IUPAC Name(3R)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine;hydrobromide
Molecular FormulaC20H26BrNO2S2
Molecular Weight456.5
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity385
SMILES
C[C@@H](CN[C@@H]1COC2=CC=CC=C2SC1)CSC3=CC=CC=C3OC.Br
InChI
InChI=1S/C20H25NO2S2.BrH/c1-15(13-24-19-9-5-3-7-17(19)22-2)11-21-16-12-23-18-8-4-6-10-20(18)25-14-16;/h3-10,15-16,21H,11-14H2,1-2H3;1H/t15-,16+;/m0./s1
InChIKey
CUWFVJMNULNBTG-IDVLALEDSA-N
Chemical Structure
2D Structure
2D structure of F-15845
CAS: 866760-23-8
CID: 72941926
Formula: C20H26BrNO2S2
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass455.05883
Monoisotopic Mass455.05883
Topological Polar Surface Area81.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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