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Substance Name: Benzeneethanamine, 2,5-dimethoxy-N-methyl-4-(pentylthio)-, (Z)-2-butenedioate (1:1)
RN: 129658-13-5
InChIKey: XWIXDAQCAHECQM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H27-N-O2-S.C4-H4-O4

Molecular Weight

  • 413.5319
 
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Names and Synonyms

Synonyms

  • 2,5-Dimethoxy-N-methyl-4-(pentylthio)benzeneethanamine (Z)-2-butenedioate (1:1)
  • N-Methyl-2-(2,5-dimethoxy-4-(pentylthio)phenyl)ethylamine maleate

Systematic Name

  • Benzeneethanamine, 2,5-dimethoxy-N-methyl-4-(pentylthio)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 129658-13-5

System Generated Number

  • 0129658135

Molecular Formulas

Molecular Formula

  • C16-H27-N-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C16-H27-N-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H27NO2S.C4H4O4/c1-5-6-7-10-20-16-12-14(18-3)13(8-9-17-2)11-15(16)19-4;5-3(6)1-2-4(7)8/h11-12,17H,5-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

XWIXDAQCAHECQM-WLHGVMLRSA-N

Smiles

CCCCCSc1cc(c(cc1OC)CCNC)OC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1085mg/kg (1085mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 782, 1990.