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Substance Name: Ethanaminium, N-ethyl-N-(4-(2-oxo-2-(2-thienyl)ethyl)-4-phenyl-1,3-dithietan-2-ylidine)-, perchlorate
RN: 102732-68-3
InChIKey: MHALCHGKQDELPR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N-O-S3.Cl-O4

Molecular Weight

  • 462.009
 
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Names and Synonyms

Synonym

  • 2-(Diethylimmonium)-4-theonylmethyl-4-phenyl-1,3-dithietane perchlorate

Systematic Name

  • Ethanaminium, N-ethyl-N-(4-(2-oxo-2-(2-thienyl)ethyl)-4-phenyl-1,3-dithietan-2-ylidine)-, perchlorate

Registry Numbers

CAS Registry Number

  • 102732-68-3

System Generated Number

  • 0102732683

Molecular Formulas

Molecular Formula

  • C18-H20-N-O-S3.Cl-O4

Molecular Formula Fragments

  • C18-H20-N-O-S3
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20NOS3.ClHO4/c1-3-19(4-2)17-22-18(23-17,14-9-6-5-7-10-14)13-15(20)16-11-8-12-21-16;2-1(3,4)5/h5-12H,3-4,13H2,1-2H3;(H,2,3,4,5)/q+1;/p-1

InChIKey

MHALCHGKQDELPR-UHFFFAOYSA-M

Smiles

CC[N+](=C1SC(S1)(CC(=O)c2cccs2)c3ccccc3)CC.[O-]Cl(=O)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 800mg/kg (800mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 629, 1986.