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Substance Name: Pahutoxin
RN: 27742-14-9
InChIKey: NJEOXMPQOCEVAI-FTBISJDPSA-M

Note

  • Found in mucus secretion of Japanese boxfish.

Molecular Formula

  • C23-H46-N-O4.Cl

Molecular Weight

  • 436.072
 
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Names and Synonyms

Name of Substance

  • Pahutoxin

Systematic Names

  • Ethanaminium, 2-(((3S)-3-(acetyloxy)-1-oxohexadecyl)oxy)-N,N,N-trimethyl-, chloride
  • Ethanaminium, 2-((3-(acetyloxy)-1-oxohexadecyl)oxy)-N,N,N-trimethyl-, chloride, (S)-

Registry Numbers

CAS Registry Number

  • 27742-14-9

System Generated Number

  • 0027742149

Molecular Formulas

Molecular Formula

  • C23-H46-N-O4.Cl

Molecular Formula Fragments

  • C23-H46-N-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C23H46NO4.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-22(28-21(2)25)20-23(26)27-19-18-24(3,4)5;/h22H,6-20H2,1-5H3;1H/q+1;/p-1/t22-;/m0./s1

InChIKey

NJEOXMPQOCEVAI-FTBISJDPSA-M

Smiles

[N+](CCOC(=O)C[C@H](CCCCCCCCCCCCC)OC(C)=O)(C)(C)C.[ClH-]