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Choline-13C2 (chloride)

CAT: 0804-HY-B1337S5-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1337S5-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Choline-13C2 (chloride) is the 13C labeled Choline chloride[1]. Choline chloride is an essential nutrient that activates alpha7 nicotinic receptors and has analgesic and anti-inflammatory activity. Glycerophosphoinositol choline can affect diseases such as liver disease, atherosclerosis and neurological disorders[2][3].
CAS Number
202190-49-6
UNSPSC
12352211
Hazard Statement
H315, H319
Target
Endogenous Metabolite; nAChR
Type
Isotope-Labeled Compounds
Related Pathways
Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; Neuronal Signaling
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/choline-13c2-chloride.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
C[N+](C)(C)[13CH2][13CH2]O.[Cl-]
Molecular Formula
C3 13C2H14ClNO
Molecular Weight
141.61
Precautions
H315, H319
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]M Q Holmes-McNary, et al. Apoptosis is induced by choline deficiency in fetal brain and in PC12 cells. Brain Res Dev Brain Res. 1997 Jul 18;101 (1-2) :9-16.|[3]T J Rowley, et al. Antinociceptive and anti-inflammatory effects of choline in a mouse model of postoperative pain. Br J Anaesth. 2010 Aug105 (2) :201-7.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Choline-13C2 (chloride)
CAS Number202190-49-6
PubChem CID121225370
IUPAC Name2-hydroxy(1,2-13C2)ethyl(trimethyl)azanium chloride
Molecular FormulaC5H14ClNO
Molecular Weight141.61
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity46
SMILES
C[N+](C)(C)[13CH2][13CH2]O.[Cl-]
InChI
InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i4+1,5+1;
InChIKey
SGMZJAMFUVOLNK-BIZAMFJHSA-M
Chemical Structure
2D Structure
2D structure of Choline-13C2 (chloride)
CAS: 202190-49-6
CID: 121225370
Formula: C5H14ClNO
MW: 141.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.61
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass141.0831014
Monoisotopic Mass141.0831014
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity46.5
Isotope Atom Count2
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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