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Substance Name: 1H-Imidazole, 4-(((2-(diphenylmethoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate (2:1)
RN: 131028-66-5
InChIKey: QEOIRDJDDIAFBR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N2-O-S.1/2C2-H2-O4

Molecular Weight

  • 766.9794
 
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Names and Synonyms

Synonym

  • 4-(((2-(Diphenylmethoxy)ethyl)thio)methyl)-5-methyl-1H-imidazole ethanedioate (2:1)

Systematic Name

  • 1H-Imidazole, 4-(((2-(diphenylmethoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate (2:1)

Registry Numbers

CAS Registry Number

  • 131028-66-5

System Generated Number

  • 0131028665

Molecular Formulas

Molecular Formula

  • C20-H22-N2-O-S.1/2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C20-H22-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H22N2OS.C2H2O4/c2*1-16-19(22-15-21-16)14-24-13-12-23-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3-1(4)2(5)6/h2*2-11,15,20H,12-14H2,1H3,(H,21,22);(H,3,4)(H,5,6)

InChIKey

QEOIRDJDDIAFBR-UHFFFAOYSA-N

Smiles

Cc1c(nc[nH]1)CSCCOC(c2ccccc2)c3ccccc3.Cc1c(nc[nH]1)CSCCOC(c2ccccc2)c3ccccc3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 639mg/kg (639mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1602, 1990.