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Chromanol 293B

CAT: 0013-GTR19201377-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201377-02Size:5 mg
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Description
This small molecule research compound selectively inhibits the slow delayed rectifier potassium current (IKs) . It is a valuable tool for investigating cardiac electrophysiology, particularly in studies of arrhythmia mechanisms and drug-induced QT prolongation in both cellular and animal models.
CAS Number
163163-23-3
Field of Research
Pharmacology & Drug Discovery
Purity
99.78% (May vary between batches)
Smiles
N (S (CC) (=O) =O) (C) [C@H]1C=2C (OC (C) (C) [C@@H]1O) =CC=C (C#N) C2
Molecular Formula
C15H20N2O4S
Molecular Weight
324.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chromanol 293B

Chromanol 293B is a 1-benzopyran.

CAS Number163163-23-3
PubChem CID121846
IUPAC NameN-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
Molecular FormulaC15H20N2O4S
Molecular Weight324.4
XLogP0.9
Topological Polar Surface Area99
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity560
SMILES
CCS(=O)(=O)N(C)[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O
InChI
InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1
InChIKey
HVSJHHXUORMCGK-UONOGXRCSA-N
Chemical Structure
2D Structure
2D structure of Chromanol 293B
CAS: 163163-23-3
CID: 121846
Formula: C15H20N2O4S
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass324.11437830
Monoisotopic Mass324.11437830
Topological Polar Surface Area99 Ų
Heavy Atom Count22
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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