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Axomadol

CAT: 0013-GTR19203995-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203995-02Size:50 mg
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Description
Axomadol (EN3324) is a centrally acting analgesic small molecule with dual opioid agonist and monoamine reuptake inhibition properties. It is utilized in preclinical research to investigate mechanisms of pain modulation in both in vitro binding assays and in vivo animal models of nociception.
CAS Number
187219-99-4
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
COc1cccc (c1) [C@]1 (O) C[C@@H] (O) CC[C@H]1CN (C) C
Molecular Formula
C16H25NO3
Molecular Weight
279.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Axomadol

Axomadol is under investigation in clinical trial NCT01043263 (Efficacy and Safety of EN3324 (Axomadol) in Subjects With Chronic Low Back Pain).

CAS Number187219-99-4
PubChem CID11300448
IUPAC Name6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexane-1,3-diol
Molecular FormulaC16H25NO3
Molecular Weight279.37
XLogP1.5
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity310
SMILES
CN(C)CC1CCC(CC1(C2=CC(=CC=C2)OC)O)O
InChI
InChI=1S/C16H25NO3/c1-17(2)11-13-7-8-14(18)10-16(13,19)12-5-4-6-15(9-12)20-3/h4-6,9,13-14,18-19H,7-8,10-11H2,1-3H3
InChIKey
LQJLLAOISDVBJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Axomadol
CAS: 187219-99-4
CID: 11300448
Formula: C16H25NO3
MW: 279.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.37
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass279.18344366
Monoisotopic Mass279.18344366
Topological Polar Surface Area52.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity310
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-U00031-01Axomadol
T30239-01Axomadol hydrochloride
HY-U00031AAxomadol (hydrochloride)
TRC-A583490-100MGAxomadol Hydrochloride Salt

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