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Substance Name: Propanamide, 2-amino-N-(2-((2-benzoyl-4-chlorophenyl)amino)acetyl)-, DL-, hemihydrate
RN: 68709-58-0
InChIKey: IOXIDHSWTVTUBT-NSHDSACASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-Cl-N3-O3.1/2H2-O

Molecular Weight

  • 359.8112
 
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Names and Synonyms

Synonyms

  • DL-2-Amino-N-(2-((2-benzoyl-4-chlorophenyl)amino)acetyl)propanamide hemihydrate
  • Glycinamide, DL-alanyl-N-(2-benzoyl-4-chlorophenyl)-, hemihydrate

Systematic Name

  • Propanamide, 2-amino-N-(2-((2-benzoyl-4-chlorophenyl)amino)acetyl)-, DL-, hemihydrate

Registry Numbers

CAS Registry Number

  • 68709-58-0

System Generated Number

  • 0068709580

Molecular Formulas

Molecular Formula

  • C18-H18-Cl-N3-O3.1/2H2-O

Molecular Formula Fragments

  • C18-H18-Cl-N3-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H18ClN3O3/c1-11(20)18(25)22-16(23)10-21-15-8-7-13(19)9-14(15)17(24)12-5-3-2-4-6-12/h2-9,11,21H,10,20H2,1H3,(H,22,23,25)/t11-/m0/s1

InChIKey

IOXIDHSWTVTUBT-NSHDSACASA-N

Smiles

C[C@@H](C(=O)NC(=O)CNc1ccc(cc1C(=O)c2ccccc2)Cl)N

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.