Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ethanamine, N,N-dimethyl-2-(4-((((5-methyl-1H-imidazol-4-yl)methyl)thio)methyl)phenoxy)-, ethanedioate (1:2)
RN: 131028-60-9
InChIKey: KKPVECOYZJPRLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N3-O-S.2C2-H2-O4

Molecular Weight

  • 395.4775
 
* 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

  • Ethanamine, N,N-dimethyl-2-(4-((((5-methyl-1H-imidazol-4-yl)methyl)thio)methyl)phenoxy)-, ethanedioate (1:2)

Registry Numbers

CAS Registry Number

  • 131028-60-9

System Generated Number

  • 0131028609

Molecular Formulas

Molecular Formula

  • C16-H23-N3-O-S.2C2-H2-O4

Molecular Formula Fragments

  • C16-H23-N3-O-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23N3OS.C2H2O4/c1-13-16(18-12-17-13)11-21-10-14-4-6-15(7-5-14)20-9-8-19(2)3;3-1(4)2(5)6/h4-7,12H,8-11H2,1-3H3,(H,17,18);(H,3,4)(H,5,6)

InChIKey

KKPVECOYZJPRLL-UHFFFAOYSA-N

Smiles

Cc1c(nc[nH]1)CSCc2ccc(cc2)OCCN(C)C.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 742mg/kg (742mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1602, 1990.