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Substance Name: YS 3645
RN: 858-57-1
InChIKey: SKMHSCACSAEPRD-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C23-H33-N-O3.I
  • C23-H34-N-O3.I

Molecular Weight

  • 513.452
 
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Names and Synonyms

Results Name

  • YS 3645

Synonyms

  • Diethyl(4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenyl-2-butyl)methylammonium iodide
  • YS 3645

Systematic Name

  • Ammonium, diethyl(4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenyl-2-butyl)methyl-, iodide

Registry Numbers

CAS Registry Number

  • 858-57-1

System Generated Number

  • 0000858571

Molecular Formulas

Molecular Formulas

  • C23-H33-N-O3.I
  • C23-H34-N-O3.I

Molecular Formula Fragments

  • C23-H33-N-O3
  • C23-H34-N-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C24H36NO3.HI/c1-7-25(8-2,9-3)19(4)18-24(26,20-13-11-10-12-14-20)22-17-21(27-5)15-16-23(22)28-6;/h10-17,19,26H,7-9,18H2,1-6H3;1H/q+1;/p-1

InChIKey

SKMHSCACSAEPRD-UHFFFAOYSA-M

Smiles

c1cc(c([C@@](O)(c2ccccc2)C[C@@H](C)[N+](CC)(CC)CC)cc1OC)OC.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 213mg/kg (213mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 1279, 1965.