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Substance Name: 4-Pentyn-1-aminium, 3-hydroxy-3-methyl-5-phenyl-N,N,N-triethyl-, iodide
RN: 37029-98-4
InChIKey: LOXZIDNVXYRWIU-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H28-N-O.I

Molecular Weight

  • 401.325
 
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Names and Synonyms

Synonym

  • 3-Hydroxy-3-methyl-5-phenyl-N,N,N-triethyl-4-pentyn-1-aminium iodide

Systematic Name

  • 4-Pentyn-1-aminium, 3-hydroxy-3-methyl-5-phenyl-N,N,N-triethyl-, iodide

Registry Numbers

CAS Registry Number

  • 37029-98-4

System Generated Number

  • 0037029984

Molecular Formulas

Molecular Formula

  • C18-H28-N-O.I

Molecular Formula Fragments

  • C18-H28-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C18H28NO.HI/c1-5-19(6-2,7-3)16-15-18(4,20)14-13-17-11-9-8-10-12-17;/h8-12,20H,5-7,15-16H2,1-4H3;1H/q+1;/p-1

InChIKey

LOXZIDNVXYRWIU-UHFFFAOYSA-M

Smiles

C(C[C@@](C#Cc1ccccc1)(C)O)[N+](CC)(CC)CC.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 59, 1974.