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Substance Name: Propanamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-methyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 128433-33-0
InChIKey: LUYRMOZGPWPSEP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-Cl2-N3-O2-S.C6-H8-O7

Molecular Weight

  • 628.4833
 
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Names and Synonyms

  • Propanamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-methyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 128433-33-0

System Generated Number

  • 0128433330

Molecular Formulas

Molecular Formula

  • C20-H19-Cl2-N3-O2-S.C6-H8-O7

Molecular Formula Fragments

  • C20-H19-Cl2-N3-O2-S
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C20H19Cl2N3O2S.C6H8O7/c1-12(28-20-23-9-10-24-20)19(27)25(2)17-8-7-13(21)11-15(17)18(26)14-5-3-4-6-16(14)22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-12H,9-10H2,1-2H3,(H,23,24);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

LUYRMOZGPWPSEP-UHFFFAOYSA-N

Smiles

CC(C(=O)N(C)c1ccc(cc1C(=O)c2ccccc2Cl)Cl)SC3=NCCN3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #5025015,