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Eleclazine hydrochloride

CAT: 0931-T15207-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T15207-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1448754-43-5
Target
Sodium Channel, Potassium Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9986
Bioactivity
Eleclazine hydrochloride (GS 6615 hydrochloride) is a novel inhibitor of late Na+ current (IC50: 0.7 uM) .
Smiles
Cl.FC(F)(F)Oc1ccc(cc1)-c1ccc2OCCN(Cc3ncccn3)C(=O)c2c1
Molecular Formula
C21H17ClF3N3O3
Molecular Weight
451.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Eleclazine hydrochloride
CAS Number1448754-43-5
PubChem CID90479986
IUPAC Name4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one;hydrochloride
Molecular FormulaC21H17ClF3N3O3
Molecular Weight451.8
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity578
SMILES
C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)N1CC4=NC=CC=N4.Cl
InChI
InChI=1S/C21H16F3N3O3.ClH/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19;/h1-9,12H,10-11,13H2;1H
InChIKey
ZRYHNOXHGYUHFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eleclazine hydrochloride
CAS: 1448754-43-5
CID: 90479986
Formula: C21H17ClF3N3O3
MW: 451.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass451.0910536
Monoisotopic Mass451.0910536
Topological Polar Surface Area64.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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