Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzeneethanamine, 2,5-dimethoxy-4-(heptylthio)-N-methyl-, (Z)-2-butenedioate (1:1)
RN: 129658-31-7
InChIKey: IGGYDCCELBGULX-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H31-N-O2-S.C4-H4-O4

Molecular Weight

  • 441.5855
 
* 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-(heptylthio)-N-methylbenzeneethanamine (Z)-2-butenedioate (1:1)
  • N-Methyl-2-(4-(heptylthio)-2,5-dimethoxyphenyl)ethylamine maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129658-31-7

System Generated Number

  • 0129658317

Molecular Formulas

Molecular Formula

  • C18-H31-N-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C18-H31-N-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H31NO2S.C4H4O4/c1-5-6-7-8-9-12-22-18-14-16(20-3)15(10-11-19-2)13-17(18)21-4;5-3(6)1-2-4(7)8/h13-14,19H,5-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

IGGYDCCELBGULX-WLHGVMLRSA-N

Smiles

CCCCCCCSc1cc(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 > 1357mg/kg (1357mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 782, 1990.