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Substance Name: Benzeneethanamine, 2,5-dimethoxy-4-(heptylthio)-, (Z)-2-butenedioate (1:1)
RN: 129658-28-2
InChIKey: KMEXKDSOEGYUCQ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H29-N-O2-S.C4-H4-O4

Molecular Weight

  • 427.5587
 
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Names and Synonyms

Synonyms

  • 2,5-Dimethoxy-4-(heptylthio)benzeneethanamine (Z)-2-butenedioate (1:1)
  • 2-(4-(Heptylthio)-2,5-dimethoxyphenyl)ethylamine maleate

Systematic Name

  • Benzeneethanamine, 2,5-dimethoxy-4-(heptylthio)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 129658-28-2

System Generated Number

  • 0129658282

Molecular Formulas

Molecular Formula

  • C17-H29-N-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C17-H29-N-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H29NO2S.C4H4O4/c1-4-5-6-7-8-11-21-17-13-15(19-2)14(9-10-18)12-16(17)20-3;5-3(6)1-2-4(7)8/h12-13H,4-11,18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KMEXKDSOEGYUCQ-WLHGVMLRSA-N

Smiles

CCCCCCCSc1cc(c(cc1OC)CCN)OC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2746mg/kg (2746mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 782, 1990.