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rac-3-Octadecanamido-2-Methoxypropan-1-ol Phosphocholine

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For Research Use Only | Not For Clinical Use
CATAPS163702190
CAS163702-19-0
Structure
Synonyms3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, hydrate (9CI), rac-3-Octadecanamido-2-methoxypropan-1-ol phosphocholine, 3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, hydrate, (±)-
IUPAC Name[2-methoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate;hydrate
Molecular Weight554.74
Molecular FormulaC27H57N2O6P.H2O
Canonical SMILESO.CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
InChIInChI=1S/C27H57N2O6P.H2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)28-24-26(33-5)25-35-36(31,32)34-23-22-29(2,3)4
Accurate Mass554.406
FormatNeat
SubcategoryEnzyme inhibitors
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