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Substance Name: Benzenemethanamine, 2-((5-bromo-2-thienyl)thio)-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
RN: 134478-68-5
InChIKey: XHKYSBOSLISUON-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-Br-N-S2.C4-H4-O4

Molecular Weight

  • 444.3682
 
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Names and Synonyms

Synonyms

  • 2-((5-Bromo-2-thienyl)thio)-N,N-dimethylbenzenemethanamine (Z)-2-butenedioate (1:1)
  • N,N-Dimethyl-2-(5-bromo-2-thienylthio)benzylamine maleate

Systematic Name

  • Benzenemethanamine, 2-((5-bromo-2-thienyl)thio)-N,N-dimethyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 134478-68-5

System Generated Number

  • 0134478685

Molecular Formulas

Molecular Formula

  • C13-H14-Br-N-S2.C4-H4-O4

Molecular Formula Fragments

  • C13-H14-Br-N-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H14BrNS2.C4H4O4/c1-15(2)9-10-5-3-4-6-11(10)16-13-8-7-12(14)17-13;5-3(6)1-2-4(7)8/h3-8H,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

XHKYSBOSLISUON-WLHGVMLRSA-N

Smiles

CN(C)Cc1ccccc1Sc2ccc(s2)Br.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 677mg/kg (677mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 56, Pg. 449, 1991.