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Substance Name: Glycinamide, N-(2-benzoyl-4-chlorophenyl)-N-methyl-DL-valyl-, ethanedioate, hydrate (2:1:1)
RN: 74088-44-1
InChIKey: OCNHOQXEDVOLTH-UFEREZMFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H48-Cl2-N6-O6.C2-H2-O4.H2-O

Molecular Weight

  • 893.817
 
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Names and Synonyms

Synonym

  • N-(2-Benzoyl-4-chlorophenyl)-N-methyl-DL-valylglycinamide ethanedioate, hydrate (2:1:1)

Systematic Name

  • Glycinamide, N-(2-benzoyl-4-chlorophenyl)-N-methyl-DL-valyl-, ethanedioate, hydrate (2:1:1)

Registry Numbers

CAS Registry Number

  • 74088-44-1

System Generated Number

  • 0074088441

Molecular Formulas

Molecular Formula

  • C42-H48-Cl2-N6-O6.C2-H2-O4.H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C42-H48-Cl2-N6-O6
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C21H24ClN3O3.C2H2O4/c2*1-13(2)19(23)21(28)24-18(26)12-25(3)17-10-9-15(22)11-16(17)20(27)14-7-5-4-6-8-14;3-1(4)2(5)6/h2*4-11,13,19H,12,23H2,1-3H3,(H,24,26,28);(H,3,4)(H,5,6)/t2*19-;/m00./s1

InChIKey

OCNHOQXEDVOLTH-UFEREZMFSA-N

Smiles

CC(C)[C@@H](C(=O)NC(=O)CN(C)c1ccc(cc1C(=O)c2ccccc2)Cl)N.CC(C)[C@@H](C(=O)NC(=O)CN(C)c1ccc(cc1C(=O)c2ccccc2)Cl)N.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 764, 1980.