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Substance Name: Benzenemethanamine, 2-((2,5-dimethoxyphenyl)thio)-, (Z)-2-butenedioate (1:1)
RN: 127906-02-9
InChIKey: JWUUSMFKFBGXMB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-N-O2-S.C4-H4-O4

Molecular Weight

  • 391.4419
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127906-02-9

System Generated Number

  • 0127906029

Molecular Formulas

Molecular Formula

  • C15-H17-N-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C15-H17-N-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H17NO2S.C4H4O4/c1-17-12-7-8-13(18-2)15(9-12)19-14-6-4-3-5-11(14)10-16;5-3(6)1-2-4(7)8/h3-9H,10,16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

JWUUSMFKFBGXMB-WLHGVMLRSA-N

Smiles

COc1ccc(c(c1)Sc2ccccc2CN)OC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36mg/kg (36mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 3294, 1989.