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Substance Name: Phenol, 4-methoxy-2-(2-methyl-1-((methylamino)methyl)propyl)-5-(pentylthio)-, (Z)-2-butenedioate (1:1) (salt)
RN: 129658-16-8
InChIKey: PJCSHAYVYYUIGG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H31-N-O2-S.C4-H4-O4

Molecular Weight

  • 441.5855
 
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Names and Synonyms

Synonym

  • N-Methyl-2-(2-hydroxy-5-methoxy-4-(pentylthio)phenyl)-3-methylbutylamine maleate

Systematic Name

  • Phenol, 4-methoxy-2-(2-methyl-1-((methylamino)methyl)propyl)-5-(pentylthio)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 129658-16-8

System Generated Number

  • 0129658168

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/c1-6-7-8-9-22-18-11-16(20)14(10-17(18)21-5)15(12-19-4)13(2)3;5-3(6)1-2-4(7)8/h10-11,13,15,19-20H,6-9,12H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

PJCSHAYVYYUIGG-WLHGVMLRSA-N

Smiles

CCCCCSc1cc(c(cc1OC)C(CNC)C(C)C)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 646mg/kg (646mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 782, 1990.