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Etomoxir

CAT: 0607-A3404-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3404-50Size:50 mg
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Description
(CPT)-1 and DGAT activity inhibitor
CAS Number
124083-20-1
Product Name Alternative
ethyl (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
Sequence
R-(+)-Etomoxir,Etomoxir
Field of Research
Metabolism CPT1
Purity
0.9974
Solubility
≥32.7 mg/mL in DMSO; ≥109.6 mg/mL in EtOH; ≥48.3 mg/mL in H2O with gentle warming
Smiles
CCOC(=O)C1(CO1)CCCCCCOC2=CC=C(C=C2)Cl
Molecular Formula
C17H23ClO4
Molecular Weight
326.82
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Etomoxir

(2R)-2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid ethyl ester is an aromatic ether.

CAS Number124083-20-1
PubChem CID9840324
IUPAC Nameethyl (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
Molecular FormulaC17H23ClO4
Molecular Weight326.8
XLogP4.3
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count22
Formal Charge0
Complexity342
SMILES
CCOC(=O)[C@]1(CO1)CCCCCCOC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3/t17-/m1/s1
InChIKey
DZLOHEOHWICNIL-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Etomoxir
CAS: 124083-20-1
CID: 9840324
Formula: C17H23ClO4
MW: 326.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight326.8
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass326.1284869
Monoisotopic Mass326.1284869
Topological Polar Surface Area48.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity342
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes