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Substance Name: Hexadecanoic acid, (4-(4,4-dimethyl-3-oxopentyl)-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl ester
RN: 42190-68-1
InChIKey: HVWPUVZDQKWBAI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H56-N2-O5

Molecular Weight

  • 632.8804
 
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Names and Synonyms

Synonyms

  • 5-25-03-00287 (Beilstein Handbook Reference)
  • BRN 0736328

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42190-68-1

System Generated Number

  • 0042190681

Structure Descriptors

InChI

1S/C39H56N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-28-35(43)46-31-39(30-29-34(42)38(2,3)4)36(44)40(32-24-19-17-20-25-32)41(37(39)45)33-26-21-18-22-27-33/h17-22,24-27H,5-16,23,28-31H2,1-4H3

InChIKey

HVWPUVZDQKWBAI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Cesko-Slovenska Farmacie. Vol. 22, Pg. 66, 1973.