myristamidopropyl propylene glycol-dimonium chloride phosphate (Q27276848)

3,3',3''-[Phosphoryltris(oxy)]tris{2-hydroxy-N,N-dimethyl-N-[3-(tetradecanoylamino)propyl]-1-propanaminium} trichloride (English)

14 October 2016

chemical formula

C₆₆H₁₃₈Cl₃N₆O₁₀P

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(COP(=O)(OCC(C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCC)O)OCC(C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCC)O)O.[Cl-].[Cl-].[Cl-]

1 reference

stated in

myristamidopropyl propylene glycol-dimonium chloride phosphate (English)

InChI=1S/C66H135N6O10P.3ClH/c1-10-13-16-19-22-25-28-31-34-37-40-46-64(76)67-49-43-52-70(4,5)55-61(73)58-80-83(79,81-59-62(74)56-71(6,7)53-44-50-68-65(77)47-41-38-35-32-29-26-23-20-17-14-11-2)82-60-63(75)57-72(8,9)54-45-51-69-66(78)48-42-39-36-33-30-27-24-21-18-15-12-3;;;/h61-63,73-75H,10-60H2,1-9H3;3*1H

18 November 2016

Identifiers

InChI

1 reference

stated in

myristamidopropyl propylene glycol-dimonium chloride phosphate (English)

SOWMUTYVMPQQBQ-UHFFFAOYSA-N

18 November 2016

InChIKey

1 reference

stated in

myristamidopropyl propylene glycol-dimonium chloride phosphate (English)

18 November 2016

1 reference

matched by identifier from

3,3',3''-[Phosphoryltris(oxy)]tris{2-hydroxy-N,N-dimethyl-N-[3-(tetradecanoylamino)propyl]-1-propanaminium} trichloride (English)

18 November 2016

2 references

26 December 2021

InChIKey

SOWMUTYVMPQQBQ-UHFFFAOYSA-N

1 reference

1 reference

myristamidopropyl propylene glycol-dimonium chloride phosphate (English)

18 November 2016

2 references

myristamidopropyl propylene glycol-dimonium chloride phosphate (English)