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Sodium ionophore III

CAT: 1568-C01065-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01065-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81686-22-8
Synonyms
ETH2120
Target
Sodium Channel
Applications
Transmembrane Transporters
Smiles
O=C (COC1=C (OCC (=O) N (C2CCCCC2) C3CCCCC3) C=CC=C1) N (C4CCCCC4) C5CCCCC5
Molecular Formula
C34H52N2O4
Additionnal Information
Sodium ionophore III (ETH2120) is a Na+ ionophore suitable for the assay of sodium activity in blood, plasma, serum. etc.
Storage Conditions
3 years -20°C powder

Chemical Information

Sodium ionophore III
CAS Number81686-22-8
PubChem CID613672
IUPAC NameN,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
Molecular FormulaC34H52N2O4
Molecular Weight552.8
XLogP8.2
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity666
SMILES
C1CCC(CC1)N(C2CCCCC2)C(=O)COC3=CC=CC=C3OCC(=O)N(C4CCCCC4)C5CCCCC5
InChI
InChI=1S/C34H52N2O4/c37-33(35(27-15-5-1-6-16-27)28-17-7-2-8-18-28)25-39-31-23-13-14-24-32(31)40-26-34(38)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h13-14,23-24,27-30H,1-12,15-22,25-26H2
InChIKey
GKRBLFCTFPAHMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sodium ionophore III
CAS: 81686-22-8
CID: 613672
Formula: C34H52N2O4
MW: 552.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.8
XLogP38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass552.39270814
Monoisotopic Mass552.39270814
Topological Polar Surface Area59.1 Ų
Heavy Atom Count40
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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