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Substance Name: YS 3646
RN: 1054-91-7
InChIKey: JWSCBJQDLPWEKU-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C24-H33-N-O3.I
  • C24-H34-N-O3.I

Molecular Weight

  • 511.437
 
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Names and Synonyms

Results Name

  • YS 3646

Synonyms

  • 1-(4-(2,5-Dimethoxyphenyl)-4-hydroxy-4-phenyl-2-butyl)-1-methylpiperidinium iodide
  • YS 3646

Systematic Name

  • Piperidinium, 1-(4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenyl-2-butyl)-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 1054-91-7

System Generated Number

  • 0001054917

Molecular Formulas

Molecular Formulas

  • C24-H33-N-O3.I
  • C24-H34-N-O3.I

Molecular Formula Fragments

  • C24-H33-N-O3
  • C24-H34-N-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C24H34NO3.HI/c1-19(25(2)15-9-6-10-16-25)18-24(26,20-11-7-5-8-12-20)22-17-21(27-3)13-14-23(22)28-4;/h5,7-8,11-14,17,19,26H,6,9-10,15-16,18H2,1-4H3;1H/q+1;/p-1

InChIKey

JWSCBJQDLPWEKU-UHFFFAOYSA-M

Smiles

c1(c(ccc(c1)OC)OC)[C@@](O)(c1ccccc1)C[C@@H]([N+]1(CCCCC1)C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 176mg/kg (176mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

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