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Substance Name: Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((3-hydroxy-2-phenylpropyl)amino)-, (Z)-2-butenedioate (1:1)
RN: 126551-79-9
InChIKey: YKTFHFHPWOILFH-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H23-Cl-N2-O3.C4-H4-O4

Molecular Weight

  • 538.9813
 
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Names and Synonyms

Synonym

  • N-(2-Benzoyl-4-chlorophenyl)-2-(3-hydroxy-2-phenylpropylamino)acetamide maleate

Systematic Name

  • Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((3-hydroxy-2-phenylpropyl)amino)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 126551-79-9

System Generated Number

  • 0126551799

Molecular Formulas

Molecular Formula

  • C24-H23-Cl-N2-O3.C4-H4-O4

Molecular Formula Fragments

  • C24-H23-Cl-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H23ClN2O3.C4H4O4/c25-20-11-12-22(21(13-20)24(30)18-9-5-2-6-10-18)27-23(29)15-26-14-19(16-28)17-7-3-1-4-8-17;5-3(6)1-2-4(7)8/h1-13,19,26,28H,14-16H2,(H,27,29);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YKTFHFHPWOILFH-WLHGVMLRSA-N

Smiles

c1ccc(cc1)C(CNCC(=O)Nc2ccc(cc2C(=O)c3ccccc3)Cl)CO.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 102mg/kg (102mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 2248, 1989.