MedKoo Cat#: 596031 | Name: Methyl-d9-choline

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Methyl-D9-choline is under investigation in clinical trial NCT01807910 (ER Stress in NAFLD). It is also an isotopically labeled choline tracer.

Chemical Structure

Methyl-d9-choline
Methyl-d9-choline
CAS#50673-41-1

Theoretical Analysis

MedKoo Cat#: 596031

Name: Methyl-d9-choline

CAS#: 50673-41-1

Chemical Formula: C5H5D9NO+

Exact Mass: 113.1635

Molecular Weight: 113.22

Elemental Analysis: C, 53.04; H, 20.46; N, 12.37; O, 14.13

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
Methyl-d9-choline; J2.078.736H; Methyl d9 choline; Methyld9choline;
IUPAC/Chemical Name
2-hydroxy-N,N,N-tris(methyl-d3)ethan-1-aminium
InChi Key
OEYIOHPDSNJKLS-GQALSZNTSA-N
InChi Code
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1/i1D3,2D3,3D3
SMILES Code
OCC[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 113.22 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Dushianthan A, Cusack R, Grocott MPW, Postle AD. Abnormal liver phosphatidylcholine synthesis revealed in patients with acute respiratory distress syndrome. J Lipid Res. 2018 May 1. pii: jlr.P085050. doi: 10.1194/jlr.P085050. [Epub ahead of print] PubMed PMID: 29716960. 2: Davenport C, Yan J, Taesuwan S, Shields K, West AA, Jiang X, Perry CA, Malysheva OV, Stabler SP, Allen RH, Caudill MA. Choline intakes exceeding recommendations during human lactation improve breast milk choline content by increasing PEMT pathway metabolites. J Nutr Biochem. 2015 Sep;26(9):903-11. doi: 10.1016/j.jnutbio.2015.03.004. Epub 2015 Apr 15. PubMed PMID: 26025328. 3: Dushianthan A, Goss V, Cusack R, Grocott MP, Postle AD. Altered molecular specificity of surfactant phosphatidycholine synthesis in patients with acute respiratory distress syndrome. Respir Res. 2014 Nov 7;15:128. doi: 10.1186/s12931-014-0128-8. PubMed PMID: 25378080; PubMed Central PMCID: PMC4226855. 4: Yan J, Ginsberg SD, Powers B, Alldred MJ, Saltzman A, Strupp BJ, Caudill MA. Maternal choline supplementation programs greater activity of the phosphatidylethanolamine N-methyltransferase (PEMT) pathway in adult Ts65Dn trisomic mice. FASEB J. 2014 Oct;28(10):4312-23. doi: 10.1096/fj.14-251736. Epub 2014 Jun 24. PubMed PMID: 24963152; PubMed Central PMCID: PMC4202107. 5: Dushianthan A, Goss V, Cusack R, Grocott MP, Postle AD. Phospholipid composition and kinetics in different endobronchial fractions from healthy volunteers. BMC Pulm Med. 2014 Feb 1;14:10. doi: 10.1186/1471-2466-14-10. PubMed PMID: 24484629; PubMed Central PMCID: PMC3914358. 6: Yan J, Jiang X, West AA, Perry CA, Malysheva OV, Brenna JT, Stabler SP, Allen RH, Gregory JF 3rd, Caudill MA. Pregnancy alters choline dynamics: results of a randomized trial using stable isotope methodology in pregnant and nonpregnant women. Am J Clin Nutr. 2013 Dec;98(6):1459-67. doi: 10.3945/ajcn.113.066092. Epub 2013 Oct 16. PubMed PMID: 24132975.