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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-l-(4-nitrophenyl)-
RN: 104416-63-9
InChIKey: QMLVCHXAXLMGQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-N6-O3

Molecular Weight

  • 436.5132
 
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Names and Synonyms

Synonym

  • 5-Methyl-1-(4-nitrophenyl)-2-(3-(4-(4-methylpyrid-2-yl)piperazin-1-yl)propyl)pyrazolin-3-one

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104416-63-9

System Generated Number

  • 0104416639

Structure Descriptors

InChI

1S/C23H28N6O3/c1-18-8-9-24-22(16-18)26-14-12-25(13-15-26)10-3-11-27-23(30)17-19(2)28(27)20-4-6-21(7-5-20)29(31)32/h4-9,16-17H,3,10-15H2,1-2H3

InChIKey

QMLVCHXAXLMGQH-UHFFFAOYSA-N

Smiles

Cc1ccnc(c1)N2CCN(CC2)CCCn3c(=O)cc(n3c4ccc(cc4)[N+](=O)[O-])C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   United States Patent Document. Vol. #4672063,