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Substance Name: Benzenemethanamine, 2-((2,5-dimethoxyphenyl)thio)-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
RN: 127905-79-7
InChIKey: PBERZIJIQRQPPX-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-O2-S.C4-H4-O4

Molecular Weight

  • 419.4955
 
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Names and Synonyms

Synonym

  • 2-((2,5-Dimethoxyphenyl)thio)-N,N-dimethylbenzenemethanamine (Z)-2-butenedioate (1:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127905-79-7

System Generated Number

  • 0127905797

Molecular Formulas

Molecular Formula

  • C17-H21-N-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C17-H21-N-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21NO2S.C4H4O4/c1-18(2)12-13-7-5-6-8-16(13)21-17-11-14(19-3)9-10-15(17)20-4;5-3(6)1-2-4(7)8/h5-11H,12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

PBERZIJIQRQPPX-WLHGVMLRSA-N

Smiles

CN(C)Cc1ccccc1Sc2cc(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.