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Substance Name: Ammonium, diethyl(beta-hydroxyphenethyl)methyl-, iodide, 3,4,5-trimethoxybenzoate
ID: BP76588000
InChIKey: IUONSPHJTIXCEL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-N-O5.I

Molecular Weight

  • 529.4078
 
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Names and Synonyms

Synonym

  • Diethyl(beta-hydroxyphenethyl)methylammonium iodide 3,4,5-trimethoxybenzoate

Systematic Name

  • Ammonium, diethyl(beta-hydroxyphenethyl)methyl-, iodide, 3,4,5-trimethoxybenzoate

Registry Numbers

ID Number

  • NIOSH/BP7658800

System Generated Number

  • BP76588000

Molecular Formulas

Molecular Formula

  • C23-H32-N-O5.I

Molecular Formula Fragments

  • C23-H32-N-O5
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C23H32NO5.HI/c1-7-24(3,8-2)16-21(17-12-10-9-11-13-17)29-23(25)18-14-19(26-4)22(28-6)20(15-18)27-5;/h9-15,21H,7-8,16H2,1-6H3;1H/q+1;/p-1

InChIKey

IUONSPHJTIXCEL-UHFFFAOYSA-M

Smiles

[I-].CC[N+](C)(CC)CC(OC(=O)c1cc(OC)c(OC)c(OC)c1)c2ccccc2