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Substance Name: Benzenemethanamine, 2-((2,5-dimethoxyphenyl)thio)-N-methyl-, (Z)-2-butenedioate (1:1)
RN: 127905-90-2
InChIKey: DMAFJAOVPSFGAS-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N-O2-S.C4-H4-O4

Molecular Weight

  • 405.4687
 
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Names and Synonyms

Synonym

  • N-Methyl-2-(2,5-dimethoxyphenylthio)benzylamine maleate

Systematic Name

  • Benzenemethanamine, 2-((2,5-dimethoxyphenyl)thio)-N-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 127905-90-2

System Generated Number

  • 0127905902

Molecular Formulas

Molecular Formula

  • C16-H19-N-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C16-H19-N-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19NO2S.C4H4O4/c1-17-11-12-6-4-5-7-15(12)20-16-10-13(18-2)8-9-14(16)19-3;5-3(6)1-2-4(7)8/h4-10,17H,11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

DMAFJAOVPSFGAS-WLHGVMLRSA-N

Smiles

CNCc1ccccc1Sc2cc(ccc2OC)OC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 3294, 1989.