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Substance Name: Benzeneethanamine, 2-((4-methoxyphenyl)thio)-N,N,alpha-trimethyl-, ethanedioate (1:1)
RN: 128959-29-5
InChIKey: LHUKKPCEPBLUMR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N-O-S.C2-H2-O4

Molecular Weight

  • 391.4855
 
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Names and Synonyms

Synonyms

  • 2-((4-Methoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1)
  • N,N-Dimethyl-1-(2-(4-methoxyphenylthio)phenyl)-2-propylamine oxalate

Systematic Name

  • Benzeneethanamine, 2-((4-methoxyphenyl)thio)-N,N,alpha-trimethyl-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 128959-29-5

System Generated Number

  • 0128959295

Molecular Formulas

Molecular Formula

  • C18-H23-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C18-H23-N-O-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NOS.C2H2O4/c1-14(19(2)3)13-15-7-5-6-8-18(15)21-17-11-9-16(20-4)10-12-17;3-1(4)2(5)6/h5-12,14H,13H2,1-4H3;(H,3,4)(H,5,6)

InChIKey

LHUKKPCEPBLUMR-UHFFFAOYSA-N

Smiles

CC(Cc1ccccc1Sc2ccc(cc2)OC)N(C)C.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1077, 1990.
mouse LD50 oral 203mg/kg (203mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1077, 1990.