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Magnesium ionophore III

CAT: 0013-GTR19239651-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239651-01Size:50 mg
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Description
Magnesium ionophore III (ETH 4030) is a research compound that facilitates Mg2+ transport across cellular membranes. It is widely used in vitro and in vivo to study the role of magnesium in neuronal function, cardiac physiology, and metabolic regulation.
CAS Number
119110-38-2
Field of Research
Metabolism Research
Smiles
O=C (NCCCCCCCCNC (=O) CC (=O) N (C) CCCCCCC) CC (=O) N (C) CCCCCCC
Molecular Formula
C30H58N4O4
Molecular Weight
538.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Magnesium ionophore III
CAS Number119110-38-2
PubChem CID541679
IUPAC NameN'-heptyl-N-[8-[[3-[heptyl(methyl)amino]-3-oxopropanoyl]amino]octyl]-N'-methylpropanediamide
Molecular FormulaC30H58N4O4
Molecular Weight538.8
XLogP6.4
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count25
Heavy Atom Count38
Formal Charge0
Complexity588
SMILES
CCCCCCCN(C)C(=O)CC(=O)NCCCCCCCCNC(=O)CC(=O)N(C)CCCCCCC
InChI
InChI=1S/C30H58N4O4/c1-5-7-9-15-19-23-33(3)29(37)25-27(35)31-21-17-13-11-12-14-18-22-32-28(36)26-30(38)34(4)24-20-16-10-8-6-2/h5-26H2,1-4H3,(H,31,35)(H,32,36)
InChIKey
MXMJPDBVBJZBCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Magnesium ionophore III
CAS: 119110-38-2
CID: 541679
Formula: C30H58N4O4
MW: 538.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.8
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count25
Exact Mass538.44580634
Monoisotopic Mass538.44580634
Topological Polar Surface Area98.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity588
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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