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Palmitoylcholine (chloride)

CAT: 0931-T36766-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T36766-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2932-74-3
Target
PDE, Others
Related Pathways
Metabolism, Others
Bioactivity
Palmitoylcholine is an acyl choline.1It inhibits protein kinase C activity when used at a concentration of 100 μM.2Palmitoylcholine induces hemolysis in rat erythrocytes.3Plasma levels of palmitoylcholine are decreased in female patients with myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) .1
Smiles
[Cl-].CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
Molecular Formula
C21H44ClNO2
Molecular Weight
378.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Palmitoylcholine chloride
CAS Number2932-74-3
PubChem CID22155835
IUPAC Name2-hexadecanoyloxyethyl(trimethyl)azanium chloride
Molecular FormulaC21H44ClNO2
Molecular Weight378.0
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Heavy Atom Count25
Formal Charge0
Complexity284
SMILES
CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C21H44NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20-19-22(2,3)4;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKey
SABHLWJWDCWCRQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Palmitoylcholine chloride
CAS: 2932-74-3
CID: 22155835
Formula: C21H44ClNO2
MW: 378.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight378.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Exact Mass377.3060573
Monoisotopic Mass377.3060573
Topological Polar Surface Area26.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity284
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