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Substance Name: Glycinamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-L-phenylalanyl-, ethanedioate (1:1)
RN: 59180-13-1
InChIKey: FXBHATVAMBMYCW-BOXHHOBZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H23-Cl2-N3-O3.C2-H2-O4

Molecular Weight

  • 574.4145
 
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Names and Synonyms

  • Glycinamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-L-phenylalanyl-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 59180-13-1

System Generated Number

  • 0059180131

Molecular Formulas

Molecular Formula

  • C25-H23-Cl2-N3-O3.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C25-H23-Cl2-N3-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H23Cl2N3O3.C2H2O4/c1-30(15-23(31)29-25(33)21(28)13-16-7-3-2-4-8-16)22-12-11-17(26)14-19(22)24(32)18-9-5-6-10-20(18)27;3-1(4)2(5)6/h2-12,14,21H,13,15,28H2,1H3,(H,29,31,33);(H,3,4)(H,5,6)/t21-;/m0./s1

InChIKey

FXBHATVAMBMYCW-BOXHHOBZSA-N

Smiles

CN(CC(=O)NC(=O)[C@H](Cc1ccccc1)N)c2ccc(cc2C(=O)c3ccccc3Cl)Cl.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.