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Substance Name: Benzeneethanamine, 2-(phenylthio)-N,N,alpha-trimethyl-, (Z)-2-butene dioate (1:1)
RN: 127876-86-2
InChIKey: GIMDZHUBLXVCNF-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-S.C4-H4-O4

Molecular Weight

  • 387.4975
 
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Names and Synonyms

Synonym

  • N,N-Dimethyl-1-(2-(phenylthio)phenyl)-2-propylamine maleate

Systematic Name

  • Benzeneethanamine, 2-(phenylthio)-N,N,alpha-trimethyl-, (Z)-2-butene dioate (1:1)

Registry Numbers

CAS Registry Number

  • 127876-86-2

System Generated Number

  • 0127876862

Molecular Formulas

Molecular Formula

  • C17-H21-N-S.C4-H4-O4

Molecular Formula Fragments

  • C17-H21-N-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21NS.C4H4O4/c1-14(13-18(2)3)16-11-7-8-12-17(16)19-15-9-5-4-6-10-15;5-3(6)1-2-4(7)8/h4-12,14H,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

GIMDZHUBLXVCNF-WLHGVMLRSA-N

Smiles

CC(CN(C)C)c1ccccc1Sc2ccccc2.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 247mg/kg (247mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.