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    Technical details about 043IPI2M0K, learn more about the structure, uses, toxicity, action, side effects and more

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    043IPI2M0K

    APIs // Active Pharmaceutical Ingredients

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    2D Structure
    Also known as: 816-94-4, Dspc, Distearoyl phosphatidylcholine, (r)-2,3-bis(stearoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate, Pc(18:0/18:0), 1,2-distearoyl-sn-3-phosphacholine
    Molecular Formula
    C44H88NO8P
    Molecular Weight
    790.1  g/mol
    InChI Key
    NRJAVPSFFCBXDT-HUESYALOSA-N
    FDA UNII
    043IPI2M0K
    PC(18:0/18:0) is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R)-2,3-di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
    2.1.2 InChI
    InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
    2.1.3 InChI Key
    NRJAVPSFFCBXDT-HUESYALOSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
    2.1.5 Isomeric SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
    2.2 Other Identifiers
    2.2.1 UNII
    043IPI2M0K
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,2-distearin Sn-3-phosphorylcholine

    2. 1,2-distearoyllecithin

    3. 1,2-distearoyllecithin, (+-)-isomer

    4. 1,2-distearoyllecithin, (r)-isomer

    5. 1,2-distearoyllecithin, (s)-isomer

    6. 1,2-distearoylphosphatidylcholine

    7. 4-hydroxy-n,n,n-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-3,5,9-trioxa-4-phosphahepta Cosan-1-aminium Hydroxide, Inner Salt, 4-oxide

    8. Distearoyl Phosphatidylcholine

    9. Distearoyl-sn-glycero-3-phosphocholine

    10. Distearoylglycerophosphocholine

    11. Distearoylphosphatidylcholine

    12. Distearoylphosphatidylcholine, Dl-

    13. Dl-dspc

    14. Dspc R-isomer

    15. L-distearoyllecithin

    16. L-dspc

    2.3.2 Depositor-Supplied Synonyms

    1. 816-94-4

    2. Dspc

    3. Distearoyl Phosphatidylcholine

    4. (r)-2,3-bis(stearoyloxy)propyl (2-(trimethylammonio)ethyl) Phosphate

    5. Pc(18:0/18:0)

    6. 1,2-distearoyl-sn-3-phosphacholine

    7. 1,2-dioctadecanoyl-sn-glycero-3-phosphocholine

    8. 1,2-distearoyl-sn-glycero-3-phosphorylcholine

    9. 3-sn-phosphatidylcholine

    10. Di-stearoyl-phosphatidylcholine

    11. 043ipi2m0k

    12. Phosphatidylcholine(18:0/18:0)

    13. Gpcho(18:0/18:0)

    14. [(2r)-2,3-di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl Phosphate

    15. Nsc-725285

    16. Unii-043ipi2m0k

    17. (r)-2,3-bis(stearoyloxy)propyl [2-(trimethylammonio)ethyl] Phosphate

    18. Einecs 212-440-2

    19. L-beta,gamma,disteroyl-alpha-lecithin

    20. Mfcd00036905

    21. L-alpha-phosphatidylcholine, Distearoyl

    22. 1,2-distearoyl-sn-glycerophosphocholine

    23. Dspc R-isomer

    24. L-distearoyllecithin

    25. Schembl24563

    26. 1,2-dspc

    27. Chebi:83718

    28. 18:0 Pc (dspc)

    29. Dtxsid20231218

    30. Bcp11135

    31. Lmgp01010006

    32. Nsc725285

    33. Distearoyl-l-.alpha.-lecithin

    34. Akos016012934

    35. Distearoyl Glycerophosphocholine

    36. Distearoyl-sn-glycero-3-phosphocholine

    37. Cs-w020933

    38. Gs-6169

    39. Hy-w040193

    40. Nsc 725285

    41. (r)-(7-lauroyl-4-oxido-10-oxo-3,5,9-trioxa-4-phosphaheptacosyl)trimethylammonium 4-oxide

    42. L-alpha-phosphatidyl Choline, Distearoyl

    43. 4-hydroxy-n,n,n-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-3,5,9-trioxa-4-phosphaheptacosan-1-aminium Hydroxide, Inner Salt, 4-oxide, (r)-

    44. Bp-25623

    45. Gpc(18:0/18:0)

    46. D3926

    47. Pc (18:0)2

    48. 1,2-distearin Sn-3-phosphorylcholine

    49. Distearoyl Glycerophosphocholine [inci]

    50. Pc 18:0/18:0

    51. 1,2-distearoyl-sn-glycero-3-phosphatidylcholine

    52. A864508

    53. 1,2-diastearoyl-sn-glycero-3-phosphocholine

    54. 1,2-distearoyl-sn-glycero-3-phosphocholine, >=99%

    55. Q27157143

    56. 1,2-distearoyl-sn-glycero-3-phosphocholine [ii]

    57. 1,2-distearoyl-sn-glycero-3-phosphocholine (dspc)

    58. 1,2-distearoyl-sn-glycero-3-phosphocholine, >=99% (tlc)

    59. (2r)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl Phosphate

    60. (2r)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl Phosphate

    61. 18:0 Pc (dspc), 1,2-distearoyl-sn-glycero-3-phosphocholine, Powder

    62. (2-{[(2r)-2,3-bis(octadecanoyloxy)propyl Phosphono]oxy}ethyl)trimethylazanium

    63. 3,5,9-trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-, Hydroxide, Inner Salt, 4-oxide, (r)-

    64. 3,5,9-trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-, Inner Salt, 4-oxide, (7r)-

    2.3.3 Other Synonyms

    1. Dioctadecanoyllecithin

    2. 18603-43-5

    3. 1,2-distearoyl-rac-glycero-3-phosphocholine

    4. 2,3-di(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl Phosphate

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 790.1 g/mol
    Molecular Formula C44H88NO8P
    XLogP315.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count44
    Exact Mass789.62475576 g/mol
    Monoisotopic Mass789.62475576 g/mol
    Topological Polar Surface Area111 Ų
    Heavy Atom Count54
    Formal Charge0
    Complexity888
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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