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PB28 dihydrochloride

CAT: 1410-M33903-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Σ2 receptor agonist
CAS Number
172907-03-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
443.49
Molecular Formula
C24H40Cl2N2O
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

PB28 dihydrochloride

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CAS Number172907-03-8
PubChem CID46861545
IUPAC Name1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride
Molecular FormulaC24H40Cl2N2O
Molecular Weight443.5
Topological Polar Surface Area15.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity428
SMILES
COC1=CC=CC2=C1CCCC2CCCN3CCN(CC3)C4CCCCC4.Cl.Cl
InChI
InChI=1S/C24H38N2O.2ClH/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21;;/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3;2*1H
InChIKey
DSRBJOQIBXACIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PB28 dihydrochloride
CAS: 172907-03-8
CID: 46861545
Formula: C24H40Cl2N2O
MW: 443.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass442.2517693
Monoisotopic Mass442.2517693
Topological Polar Surface Area15.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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