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Substance Name: Hexadecanoic acid, (3,5-dioxo-4-(3-oxobutyl)-1,2-diphenyl-4-pyrazolidinyl)methyl ester
RN: 42190-62-5
InChIKey: YBNBMXIXJNZGJA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H50-N2-O5

Molecular Weight

  • 590.8
 
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Names and Synonyms

Synonyms

  • (3,5-Dioxo-4-(3-oxobutyl)-1,2-diphenyl-4-pyrazolidinyl)methyl hexadecanoate
  • 5-25-03-00283 (Beilstein Handbook Reference)
  • BRN 0735349

Systematic Name

  • Hexadecanoic acid, (3,5-dioxo-4-(3-oxobutyl)-1,2-diphenyl-4-pyrazolidinyl)methyl ester

Registry Numbers

CAS Registry Number

  • 42190-62-5

System Generated Number

  • 0042190625

Structure Descriptors

InChI

1S/C36H50N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-33(40)43-29-36(28-27-30(2)39)34(41)37(31-22-17-15-18-23-31)38(35(36)42)32-24-19-16-20-25-32/h15-20,22-25H,3-14,21,26-29H2,1-2H3

InChIKey

YBNBMXIXJNZGJA-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)OCC1(C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)CCC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   Cesko-Slovenska Farmacie. Vol. 22, Pg. 66, 1973.