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ACTIVE PHARMA INGREDIENTS

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1 USDMF

Synopsis

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Chemistry

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Also known as: 51779-95-4, L-dierucoyl lecithin, Dierucoyllecithin, Depc, l-, Depc, r-, 1,2-di13-cis-docosenoyl-sn-glycero-3-phosphocholine

Molecular Formula

C₅₂H₁₀₀NO₈P

Molecular Weight

898.3 g/mol

InChI Key

SDEURMLKLAEUAY-JFSPZUDSSA-N

FDA UNII

1Z951826B6

1 2D Structure

DEPC

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R)-2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

2.1.2 InChI

InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-/t50-/m1/s1

2.1.3 InChI Key

SDEURMLKLAEUAY-JFSPZUDSSA-N

2.1.4 Canonical SMILES

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC=CCCCCCCCC

2.1.5 Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

2.2 Other Identifiers

2.2.1 UNII

1Z951826B6

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,2-didocos-13-enoyl Phoshatidylcholine

2.3.2 Depositor-Supplied Synonyms

1. 51779-95-4

2. L-dierucoyl Lecithin

3. Dierucoyllecithin

4. Depc, L-

5. Depc, R-

6. 1,2-di13-cis-docosenoyl-sn-glycero-3-phosphocholine

7. 1,2-dierucoyl-phosphatidylcholine, R-

8. 1,2-dierucoyl-sn-glycerol-3-phosphorylcholine

9. Pc(22:1/22:1)

10. Dierucoyl-l-a-glycerophosphorylcholine

11. 1,2-di-(13z-docosenoyl)-sn-glycero-3-phosphocholine

12. Pc(22:1(13z)/22:1(13z))

13. 1z951826b6

14. 1,2-dierucoyl-sn-glycero-3-phosphatidylcholine

15. [(2r)-2,3-bis[[(z)-docos-13-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl Phosphate

16. 3,5,9-trioxa-4-phosphahentriacont-22-en-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-(((13z)-1-oxo-13-docosen-1-yl)oxy)-, Inner Salt, 4-oxide, (7r,22z)-

17. Dierucoylphosphatidylcholine

18. 3,5,9-trioxa-4-phosphahentriacont-22-en-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-[[(13z)-1-oxo-13-docosen-1-yl]oxy]-, Inner Salt, 4-oxide, (7r,22z)-

19. Unii-1z951826b6

20. Dierucoyl Phosphatidylcholine

21. Schembl178155

22. 22:1 (cis) Pc

23. Dtxsid401345798

24. Phosphatidylcholine(22:1/22:1)

25. 76420-81-0

26. Bca77995

27. Gpcho(22:1/22:1)

28. Gpcho(22:1n9/22:1n9)

29. Gpcho(22:1w9/22:1w9)

30. Lmgp01011110

31. Mfcd00674315

32. Hy-w127499

33. Pc(22:1n9/22:1n9)

34. Pc(22:1w9/22:1w9)

35. Phosphatidylcholine(22:1n9/22:1n9)

36. Phosphatidylcholine(22:1w9/22:1w9)

37. 1,2-didocos-13-enoyl Phoshatidylcholine

38. Bp-26302

39. 1,2-dierucoyl-rac-glycero-3-phosphocholine

40. Dierucoyl-l-.alpha.-glycerophosphorylcholine

41. Cs-0185727

42. D5319

43. T70993

44. Q27253299

45. 1,2-dierucoyl-sn-glycero-3-phosphocholine, >=98.0% (tlc)

46. 22:1 (cis) Pc, 1,2-dierucoyl-sn-glycero-3-phosphocholine, Powder

47. (r)-2,3-bis(erucoyloxy)propyl [2-(trimethylammonio)ethyl] Phosphate

48. 1,2-dierucoyl-sn-glycero-3-phosphocholine Pound>>1,2-di(cis-13-docosenoyl)-sn-glycero-3-phosphocholine

49. 3,5,9-trioxa-4-phosphahentriacont-22-en-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-((1-oxo-13-docosenyl)oxy)-, Hydroxide, Inner Salt, 4-oxide, (r)-

50. 3,5,9-trioxa-4-phosphahentriacont-22-en-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-[(1-oxo-13-docosenyl)oxy]-, Inner Salt, 4-oxide, [r-(z,z)]-

51. 3,5,9-trioxa-4-phosphahentriacont-22-en-1-aminium,4-hydroxy-n,n,n-trimethyl-10-oxo-7-[[(13z)-1-oxo-13-docosen-1-yl]oxy]-,innersalt,4-oxide,(7r,22z)-

2.3.3 Other Synonyms

1. Depc

2. Depc Api

2.4 Create Date

2008-05-14

3 Chemical and Physical Properties

Molecular Formula	C₅₂H₁₀₀NO₈P
Molecular Weight	898.3 g/mol
XLogP3	18.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	50
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	111
Heavy Atom Count	62
Formal Charge	0
Complexity	1100
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1