Products for Research Use Only

Axomadol hydrochloride

CAT: 0013-GTR19195513-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195513-01Size:25 mg
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Description
Axomadol hydrochloride is a research compound that modulates nociception and alters pupil diameter in healthy subjects. It is utilized in preclinical in vivo studies investigating pain pathways and autonomic nervous system responses.
CAS Number
187219-95-0
Field of Research
Metabolism Research
Smiles
Cl.COc1cccc (c1) [C@]1 (O) C[C@@H] (O) CC[C@H]1CN (C) C
Molecular Formula
C16H26ClNO3
Molecular Weight
315.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Axomadol hydrochloride
CAS Number187219-95-0
PubChem CID70220033
IUPAC Name(1S,3S,6S)-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexane-1,3-diol;hydrochloride
Molecular FormulaC16H26ClNO3
Molecular Weight315.83
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity310
SMILES
CN(C)C[C@@H]1CC[C@@H](C[C@]1(C2=CC(=CC=C2)OC)O)O.Cl
InChI
InChI=1S/C16H25NO3.ClH/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;1H/t13-,14-,16+;/m0./s1
InChIKey
BCTAUJYAQUAGMU-ZPQOTBKHSA-N
Chemical Structure
2D Structure
2D structure of Axomadol hydrochloride
CAS: 187219-95-0
CID: 70220033
Formula: C16H26ClNO3
MW: 315.83
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight315.83
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass315.1601214
Monoisotopic Mass315.1601214
Topological Polar Surface Area52.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity310
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes