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Substance Name: 3,5-Pyrazolidinedione, 4-butyl-1-phenyl-2-(4-phenyl-2-thiazolyl)-, compd. with 1-(1,3-benzodioxol-5-ylmethyl)piperazine (1:1)
RN: 66181-62-2
InChIKey: SMXUGSZYNYYIAA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N3-O2-S.C12-H16-N2-O2

Molecular Weight

  • 611.7633
 
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Names and Synonyms

Synonym

  • 1-Phenyl 2-(4'-phenylthiazole-2'-yl) 4-n-butyl pyrazolidinedione sel de piperonyl piperazine

Systematic Name

  • 3,5-Pyrazolidinedione, 4-butyl-1-phenyl-2-(4-phenyl-2-thiazolyl)-, compd. with 1-(1,3-benzodioxol-5-ylmethyl)piperazine (1:1)

Registry Numbers

CAS Registry Number

  • 66181-62-2

System Generated Number

  • 0066181622

Molecular Formulas

Molecular Formula

  • C22-H21-N3-O2-S.C12-H16-N2-O2

Molecular Formula Fragments

  • C12-H16-N2-O2
  • C22-H21-N3-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H21N3O2S.C12H16N2O2/c1-2-3-14-18-20(26)24(17-12-8-5-9-13-17)25(21(18)27)22-23-19(15-28-22)16-10-6-4-7-11-16;1-2-11-12(16-9-15-11)7-10(1)8-14-5-3-13-4-6-14/h4-13,15,18H,2-3,14H2,1H3;1-2,7,13H,3-6,8-9H2

InChIKey

SMXUGSZYNYYIAA-UHFFFAOYSA-N

Smiles

CCCCC1C(=O)N(N(C1=O)c2nc(cs2)c3ccccc3)c4ccccc4.c1cc2c(cc1CN3CCNCC3)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg)   French Demande Patent Document. Vol. #2337554,