1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE CAS#: 18194-24-6; ChemWhat Code: 174737
Identification
| Product Name | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE |
| IUPAC Name | [(2R)-2,3-di(tetradecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Molecular Structure |  |
| CAS Registry Number | 18194-24-6 |
| EINECS Number | 242-085-9 |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| Synonyms | dimyristoylphosphatidylcholine |
| Molecular Formula | C36H72NO8P |
| Molecular Weight | 677.9 |
| InChI | InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1 |
| InChI Key | CITHEXJVPOWHKC-UUWRZZSWSA-N |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2019/134068 | LIPOLYTIC COMPOSITION CONTAINING PHOSPHOCHOLINE DERIVATIVES | 2019 |
| US2015/343063 | PROTECTIVE EFFECT OF DMPC, DMPG, DMPC/DMPG, EGPG, LYSOPG AND LYSOPC AGAINST DRUGS THAT CAUSE CHANNELOPATHIES | 2015 |
| US4271196 | Pharmaceutical compositions for parenteral or local administration | 1981 |
Physical Data
| Appearance | White powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C |
| 23.43 |
| 24.43 |
| 35 |
| 23.8 |
| 218 – 220 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Spectrum | 31P | ||
| MAS (Magic-Angle Spinning), Chemical shifts, Spectrum | 1H | ||
| MAS (Magic-Angle Spinning), Chemical shifts, Spectrum | 13C | ||
| Solid state NMR, Spectrum | 31p | ||
| Solid state NMR | 31P | 202.5 | |
| MAS (Magic-Angle Spinning), Spectrum | 31P | water-d2 | 243 |
| COSY (Correlation Spectroscopy), Solid state NMR, Spectrum | 1H, 13C | ||
| Spectrum | 13C | water-d2 | 150 |
| 2D-NMR, Spectrum | 1H, 13C |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Comment (IR Spectroscopy) |
| Bands, Spectrum | potassium bromide | |
| Bands | H2O | |
| Spectrum | cholesteric mesophase | |
| Spectrum | H2O | 3000 – 2800 cm**(-1) |
| Bands | D2O | 1737 – 1088 cm**(-1) |
| Description (Mass Spectrometry) |
| electrospray ionisation (ESI), time-of-flight mass spectra (TOFMS), spectrum |
| MALDI (Matrix assisted laser desorption ionization), time-of-flight mass spectra (TOFMS), tandem mass spectrometry, spectrum |
| ESI (Electrospray ionisation), TOFMS (Time of flight mass spectrum), Spectrum |
| spectrum, laser desorption, time-of-flight mass spectra (TOFMS) |
| MALDI-TOF (Matrix assisted laser desorption ionization – time of flight) |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) |
| Spectrum | various solvent(s), H2O |
| Description (ESR Spectroscopy) | Temperature (ESR Spectroscopy), °C |
| Spectrum | 37 |
| Spectrum | 25 |
Route of Synthesis (ROS)
| Conditions | Yield |
| With CaCl2 buffer; sodium acetate; acetic acid In chloroform at 30℃; for 4h; phospholipase D from Streptomyces sp., pH 6.5; | 85% |
Safety and Hazards
| No data availableSignal |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 677.943 |
| logP | 11.576 |
| HBA | 8 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 121 |
| Rotatable Bond (RotB) | 36 |
| Matching Veber Rules | 1 |
| Use Pattern |
| 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE CAS#: 18194-24-6 often used as liposomes. |
| Acute pancreatitis Age-dependent macular degeneration |
| Addison’s disease |
| Goodpasture’s syndrome |
| Liver fibrosis |
| Nonalcoholic steatohepatitis (NASH) |
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Approved Manufacturers | |
| Apnoke Scientific Ltd | http://www.apnoke.com/ |
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Other Suppliers | |
| Watson International Limited | Visit Watson Official Website |
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