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S1RA hydrochloride

CAT: 1410-M11114-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M11114-01Size:5 mg
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Description
A potent and selective sigma-1 receptor antagonist with Ki of 17 nM; shows excellent selectivity over sigma-2 receptor (Ki>1 uM) .
CAS Number
1265917-14-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
373.8765
Molecular Formula
C20H24ClN3O2
Notes
Research use only, not for human use.
Receptor
Σ2|σ1R

Chemical Information

S1RA hydrochloride
CAS Number1265917-14-3
PubChem CID50914801
IUPAC Name4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride
Molecular FormulaC20H24ClN3O2
Molecular Weight373.9
Topological Polar Surface Area39.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity416
SMILES
CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4.Cl
InChI
InChI=1S/C20H23N3O2.ClH/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19;/h2-7,14-15H,8-13H2,1H3;1H
InChIKey
SHRYQZBTQDMGLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S1RA hydrochloride
CAS: 1265917-14-3
CID: 50914801
Formula: C20H24ClN3O2
MW: 373.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight373.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass373.1557047
Monoisotopic Mass373.1557047
Topological Polar Surface Area39.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes