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Etomoxir sodium salt

CAT: 0957-S8244-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S8244-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
828934-41-4
Synonyms
(R) - (+) -Etomoxir sodium salt
Target
Transferase
Applications
Metabolism
Smiles
C1C (O1) (CCCCCCOC2=CC=C (C=C2) Cl) C (=O) [O-].[Na+]
Molecular Formula
C15H18ClO4.Na
Additionnal Information
Etomoxir sodium salt ((R) - (+) -Etomoxir sodium salt) is an irreversible inhibitor of carnitine palmitoyltransferase-1 (CPT-1) on the outer face of the inner mitochondrial membrane. Etomoxir enhances palmitate-induced cell apoptosis.
Storage Conditions
2 years -80 in solvent

Chemical Information

(R)-(+)-Etomoxir sodium salt

Etomoxir is (+)-Etomoxir sodium salt is a chiral compound that functions as a reversible inhibitor of carnitine palmitoyltransferase I (CPT-1).

CAS Number828934-41-4
PubChem CID57345784
IUPAC Namesodium (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
Molecular FormulaC15H18ClNaO4
Molecular Weight320.74
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count21
Formal Charge0
Complexity321
SMILES
C1[C@](O1)(CCCCCCOC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]
InChI
InChI=1S/C15H19ClO4.Na/c16-12-5-7-13(8-6-12)19-10-4-2-1-3-9-15(11-20-15)14(17)18;/h5-8H,1-4,9-11H2,(H,17,18);/q;+1/p-1/t15-;/m1./s1
InChIKey
RPACBEVZENYWOL-XFULWGLBSA-M
Chemical Structure
2D Structure
2D structure of (R)-(+)-Etomoxir sodium salt
CAS: 828934-41-4
CID: 57345784
Formula: C15H18ClNaO4
MW: 320.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.74
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass320.0791310
Monoisotopic Mass320.0791310
Topological Polar Surface Area61.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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