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Axomadol hydrochloride

CAT: 0931-T30239-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30239-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
187219-95-0
Target
Others, Endogenous Metabolite
Related Pathways
Others, Metabolism
Bioactivity
Axomadol hydrochloride has an effect on pupil diameter and nociception in healthy subjects.
Smiles
Cl.COc1cccc(c1)[C@]1(O)C[C@@H](O)CC[C@H]1CN(C)C
Molecular Formula
C16H26ClNO3
Molecular Weight
315.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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