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Substance Name: Phenol, 2-((2-(2-aminopropyl)phenyl)thio)-, ethanedioate (2:1) (salt)
RN: 128959-33-1
InChIKey: FJDPJWAURFQFQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H34-N2-O2-S2.C2-H2-O4

Molecular Weight

  • 608.7764
 
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Names and Synonyms

Synonym

  • 2-((2-(2-Aminopropyl)phenyl)thio)phenol ethanedioate (2:1) (salt)

Systematic Name

  • Phenol, 2-((2-(2-aminopropyl)phenyl)thio)-, ethanedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 128959-33-1

System Generated Number

  • 0128959331

Molecular Formulas

Molecular Formula

  • C30-H34-N2-O2-S2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C30-H34-N2-O2-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H17NOS.C2H2O4/c2*1-11(16)10-12-4-2-3-5-15(12)18-14-8-6-13(17)7-9-14;3-1(4)2(5)6/h2*2-9,11,17H,10,16H2,1H3;(H,3,4)(H,5,6)

InChIKey

FJDPJWAURFQFQL-UHFFFAOYSA-N

Smiles

CC(Cc1ccccc1Sc2ccc(cc2)O)N.CC(Cc1ccccc1Sc2ccc(cc2)O)N.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 469mg/kg (469mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1077, 1990.