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Substance Name: 1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-thienyl)methyl)amino)-, (E)-2-butenedioate (1:1)
ID: AR99738000
InChIKey: BYPDEGAWEGLJQT-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-N2-O-S.C4-H4-O4

Molecular Weight

  • 426.4908
 
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Names and Synonyms

Synonym

  • 1,2,3,4-Tetrahydro-9-(((2-thienyl)methyl)amino)-1-acridinol fumarate

Systematic Name

  • 1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-thienyl)methyl)amino)-, (E)-2-butenedioate (1:1)

Registry Numbers

ID Number

  • NIOSH/AR9973800

System Generated Number

  • AR99738000

Molecular Formulas

Molecular Formula

  • C18-H18-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C18-H18-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H18N2OS.C4H4O4/c21-16-9-3-8-15-17(16)18(19-11-12-5-4-10-22-12)13-6-1-2-7-14(13)20-15;5-3(6)1-2-4(7)8/h1-2,4-7,10,16,21H,3,8-9,11H2,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

BYPDEGAWEGLJQT-WLHGVMLRSA-N

Smiles

OC1CCCc2nc3ccccc3c(NCc4cccs4)c12.OC(=O)\C=C\C(=O)O