Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Phenol, 2-((2-(aminomethyl)phenyl)thio)-, (Z)-2-butenedioate (1:1) (salt)
RN: 127906-50-7
InChIKey: QXKVOTQNQVDQPI-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N-O-S.C4-H4-O4

Molecular Weight

  • 347.3893
 
* 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

Synonym

  • 2-((2-(Aminomethyl)phenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)

Systematic Name

  • Phenol, 2-((2-(aminomethyl)phenyl)thio)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 127906-50-7

System Generated Number

  • 0127906507

Molecular Formulas

Molecular Formula

  • C13-H13-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C13-H13-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H13NOS.C4H4O4/c14-9-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)15;5-3(6)1-2-4(7)8/h1-8,15H,9,14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

QXKVOTQNQVDQPI-WLHGVMLRSA-N

Smiles

c1ccc(c(c1)CN)Sc2ccccc2O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 751mg/kg (751mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 3249, 1989.