Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1)
RN: 129658-10-2
InChIKey: BUIMMXSYSWNWBW-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H25-N-O2-S.C4-H4-O4

Molecular Weight

  • 399.5051
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129658-10-2

System Generated Number

  • 0129658102

Molecular Formulas

Molecular Formula

  • C15-H25-N-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C15-H25-N-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H25NO2S.C4H4O4/c1-4-5-6-9-19-15-11-13(17-2)12(7-8-16)10-14(15)18-3;5-3(6)1-2-4(7)8/h10-11H,4-9,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

BUIMMXSYSWNWBW-WLHGVMLRSA-N

Smiles

CCCCCSc1cc(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 > 1410mg/kg (1410mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 782, 1990.