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Substance Name: Ethanaminium, N-ethyl-N-(4-(2-oxo-2-phenylethyl)-4-phenyl-1,3-dithietan-2-ylidene)-, perchlorate
RN: 102732-66-1
InChIKey: KTXSBQNOMRLXNN-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N-O-S2.Cl-O4

Molecular Weight

  • 455.9808
 
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Names and Synonyms

Synonyms

  • 2-(Diethylimmonium)-4-benzoylmethyl-4-phenyl-1,3-dithietane perchlorate
  • N-Ethyl-N-(4-(2-oxo-2-phenylethyl)-4-phenyl-1,3-dithietan-2-ylidene)ethanaminium perchlorate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102732-66-1

System Generated Number

  • 0102732661

Molecular Formulas

Molecular Formula

  • C20-H22-N-O-S2.Cl-O4

Molecular Formula Fragments

  • C20-H22-N-O-S2
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22NOS2.ClHO4/c1-3-21(4-2)19-23-20(24-19,17-13-9-6-10-14-17)15-18(22)16-11-7-5-8-12-16;2-1(3,4)5/h5-14H,3-4,15H2,1-2H3;(H,2,3,4,5)/q+1;/p-1

InChIKey

KTXSBQNOMRLXNN-UHFFFAOYSA-M

Smiles

CC[N+](=C1SC(S1)(CC(=O)c2ccccc2)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.