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Substance Name: Phenol, 4-((2-((methylamino)methyl)phenyl)thio)-, (Z)-2-butenedioate (1:1) (salt)
RN: 127906-39-2
InChIKey: FUYYCUQOOXCTRF-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H15-N-O-S.C4-H4-O4

Molecular Weight

  • 361.4161
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127906-39-2

System Generated Number

  • 0127906392

Molecular Formulas

Molecular Formula

  • C14-H15-N-O-S.C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C14H15NOS.C4H4O4/c1-15-10-11-4-2-3-5-14(11)17-13-8-6-12(16)7-9-13;5-3(6)1-2-4(7)8/h2-9,15-16H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

FUYYCUQOOXCTRF-WLHGVMLRSA-N

Smiles

CNCc1ccccc1Sc2ccc(cc2)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 239mg/kg (239mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 3294, 1989.