Acylcarnitine C18:0

Base Information

Chemical Name:Acylcarnitine C18:0
CAS No.:1976-27-8
Molecular Formula:C₂₅H₄₉NO₄
Molecular Weight:427.668
Hs Code.:
DSSTox Substance ID:DTXSID70423787
Wikidata:Q27140281
Metabolomics Workbench ID:75608
ChEMBL ID:CHEMBL3392056
Mol file:1976-27-8.mol

Synonyms:Acylcarnitine C18:0;1976-27-8;O-stearoylcarnitine;3-octadecanoyloxy-4-(trimethylazaniumyl)butanoate;CHEBI:73074;3-stearoyloxy-4-(trimethylammonio)butyrate;3-(Stearoyloxy)-4-(trimethylammonio)butanoate;1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, inner salt;3-OCTADECANOYLOXY-4-TRIMETHYLAZANIUMYLBUTANOATE;O-octadecanoylcarnitine;starbld0004351;O-Octadecanoyl-DL-carnitine;SCHEMBL188358;CHEMBL3392056;DTXSID70423787;FNPHNLNTJNMAEE-UHFFFAOYSA-N;LMFA07070051;AC(18:0);FT-0674651;3-(octadecanoyloxy)-4-(trimethylammonio)butanoate;3-(octadecanoyloxy)-4-(trimethylazaniumyl)butanoate;Q27140281

Suppliers and Price of Acylcarnitine C18:0

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Stearoyl Carnitine|
250mg
$ 446.00

Medical Isotopes, Inc.
StearoylCarnitine
5 mg
$ 990.00

Total 9 raw suppliers

Chemical Property of Acylcarnitine C18:0

Chemical Property:

PSA：66.43000
LogP:5.00590
XLogP3:8.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:21
Exact Mass:427.36615904
Heavy Atom Count:30
Complexity:426

Purity/Quality:

98%,99%, ^*data from raw suppliers

Stearoyl Carnitine| ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Lipids -> Unambiguous Lipids
Canonical SMILES:CCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
Uses A carnitine ester which was tested for its ability to inhibit protein kinase C (PKC).

Technology Process of Acylcarnitine C18:0

There total 3 articles about Acylcarnitine C18:0 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: stearoyl-L-carnitine benzyl ester

: 1976-27-8,25597-09-5
stearoyl-L-carnitine

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In methanol; at 30 ℃; for 5h;

Reference yield:

: 541-15-1,44985-79-7
L-carnitine

: 1976-27-8,25597-09-5
stearoyl-L-carnitine

Guidance literature:: Multi-step reaction with 3 steps

1: N,N-dimethyl-formamide / 4 h / 125 °C

2: acetonitrile / 24 h / 45 °C

3: hydrogen; palladium 10% on activated carbon / methanol / 5 h / 30 °C

With palladium 10% on activated carbon; hydrogen; In methanol; N,N-dimethyl-formamide; acetonitrile;

Reference yield:

: 57-11-4
stearic acid

: 1976-27-8,25597-09-5
stearoyl-L-carnitine

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl dichloride / dichloromethane / 0.5 h

2: acetonitrile / 24 h / 45 °C

3: hydrogen; palladium 10% on activated carbon / methanol / 5 h / 30 °C

With oxalyl dichloride; palladium 10% on activated carbon; hydrogen; In methanol; dichloromethane; acetonitrile;