3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide

CAS Registry Number®

72490-82-5
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CAS Name

3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide

Molecular Formula

C26H56NO6P

Cite this Page

3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72490-82-5 (retrieved 2024-08-24) (CAS RN: 72490-82-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3

InChIKey

InChIKey=XKBJVQHMEXMFDZ-UHFFFAOYSA-N

SMILES

P(OCC(COCCCCCCCCCCCCCCCCCC)O)(OCC[N+](C)(C)C)(=O)[O-]

Canonical SMILES

O=P([O-])(OCC[N+](C)(C)C)OCC(O)COCCCCCCCCCCCCCCCCCC

Other Names for this Substance

  • 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide
  • 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (±)-
  • Ro 14-0859
  • 2-Hydroxy-3-(octadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate

Deleted or Replaced CAS Registry Numbers

34240-68-1