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Pitolisant hydrochloride

CAT: 1410-M16495-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M16495-02Size:1 mL x 10 mM in DMSO
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Description
A potent and selective antagonist of H3 receptor with Ki/EC50 of 0.16/1.5 nM.
CAS Number
903576-44-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
332.3084
Molecular Formula
C17H27Cl2NO
Notes
Research use only, not for human use.
Receptor
Histamine Receptor

Chemical Information

Pitolisant Hydrochloride

See also: Pitolisant (has active moiety).

CAS Number903576-44-3
PubChem CID11551689
IUPAC Name1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride
Molecular FormulaC17H27Cl2NO
Molecular Weight332.3
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity235
SMILES
C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C17H26ClNO.ClH/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;/h7-10H,1-6,11-15H2;1H
InChIKey
XLFKECRRMPOAQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pitolisant Hydrochloride
CAS: 903576-44-3
CID: 11551689
Formula: C17H27Cl2NO
MW: 332.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass331.1469699
Monoisotopic Mass331.1469699
Topological Polar Surface Area12.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity235
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

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