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Oxethazaine (Standard)

CAT: 0804-HY-B0955R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0955R-01Size:5 mg
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Description
Oxethazaine (Standard) is the analytical standard of Oxethazaine. This product is intended for research and analytical applications. Oxethazaine (Oxetacaine), a precursor of phentermine acidic, is an acid-resistent and orally active analgesic agent. Oxethazaine (Oxetacaine) has the potential for the relief of pain associated with peptic ulcer disease or esophagitis[1].
CAS Number
126-27-2
Product Name Alternative
Oxetacaine (Standard)
UNSPSC
12352005
Target
HBV; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/oxethazaine-standard.html
Smiles
OCCN(CC(N(C(C)(C)CC1=CC=CC=C1)C)=O)CC(N(C(C)(C)CC2=CC=CC=C2)C)=O
Molecular Formula
C28H41N3O3
Molecular Weight
467.64
References & Citations
[1]SEIFTER J, ET AL. Oxethazaine and related congeners: a series of highly potent local anesthetics. Proc Soc Exp Biol Med. 1962 Mar;109:664-8.|[2]Soo-Yeun Lee, et al. The abuse potential of oxethazaine: Effects of oxethazaine on drug-seeking behavior and analysis of its metabolites in plasma and hair in animal models. Pharmacology, Biochemistry and Behavior
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Clinical Information
Launched

Chemical Information

Oxethazaine

Oxethazaine is an amino acid amide.

CAS Number126-27-2
PubChem CID4621
IUPAC Name2-[2-hydroxyethyl-[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
Molecular FormulaC28H41N3O3
Molecular Weight467.6
XLogP3.8
Topological Polar Surface Area64.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity585
SMILES
CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC2=CC=CC=C2
InChI
InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3
InChIKey
FTLDJPRFCGDUFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxethazaine
CAS: 126-27-2
CID: 4621
Formula: C28H41N3O3
MW: 467.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight467.6
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass467.31479218
Monoisotopic Mass467.31479218
Topological Polar Surface Area64.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity585
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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