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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-5-ethyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-1-(4-nitrophenyl)-
RN: 104417-24-5
InChIKey: LOSWLYDMCFLQKV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-N6-O3

Molecular Weight

  • 450.54
 
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Names and Synonyms

  • 3H-Pyrazol-3-one, 1,2-dihydro-5-ethyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-1-(4-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 104417-24-5

System Generated Number

  • 0104417245

Structure Descriptors

InChI

1S/C24H30N6O3/c1-3-20-18-24(31)28(29(20)21-5-7-22(8-6-21)30(32)33)12-4-11-26-13-15-27(16-14-26)23-17-19(2)9-10-25-23/h5-10,17-18H,3-4,11-16H2,1-2H3

InChIKey

LOSWLYDMCFLQKV-UHFFFAOYSA-N

Smiles

CCc1cc(=O)n(n1c2ccc(cc2)[N+](=O)[O-])CCCN3CCN(CC3)c4cc(ccn4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 93mg/kg (93mg/kg)   United States Patent Document. Vol. #4672063,