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Substance Name: 1,4-Benzenediol, 2-((2-((methylamino)methyl)phenyl)thio)-, (Z)-2-butenedioate (1:1) (salt)
RN: 127906-41-6
InChIKey: AGYMFYABMLHWEH-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H15-N-O2-S.C4-H4-O4

Molecular Weight

  • 377.4151
 
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Names and Synonyms

Synonym

  • 2-((2-((Methylamino)methyl)phenyl)thio)-1,4-benzenediol (Z)-2-butenedioate (1:1) (salt)

Systematic Name

  • 1,4-Benzenediol, 2-((2-((methylamino)methyl)phenyl)thio)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 127906-41-6

System Generated Number

  • 0127906416

Molecular Formulas

Molecular Formula

  • C14-H15-N-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C14-H15-N-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H15NO2S.C4H4O4/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17;5-3(6)1-2-4(7)8/h2-8,15-17H,9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

AGYMFYABMLHWEH-WLHGVMLRSA-N

Smiles

CNCc1ccccc1Sc2cc(ccc2O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 611mg/kg (611mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 3294, 1989.