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Substance Name: Benzoic acid, 3,5-dinitro-, (1,2-dihydro-1-((4-(3-methylphenyl)-1-piperazinyl)methyl)-2-oxo-3H-indol-3-ylidene)hydrazide
RN: 100696-27-3
InChIKey: IYMSAGNTVZCERP-AZPGRJICSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H25-N7-O6

Molecular Weight

  • 543.5375
 
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Names and Synonyms

  • Benzoic acid, 3,5-dinitro-, (1,2-dihydro-1-((4-(3-methylphenyl)-1-piperazinyl)methyl)-2-oxo-3H-indol-3-ylidene)hydrazide

Registry Numbers

CAS Registry Number

  • 100696-27-3

System Generated Number

  • 0100696273

Structure Descriptors

InChI

1S/C27H25N7O6/c1-18-5-4-6-20(13-18)31-11-9-30(10-12-31)17-32-24-8-3-2-7-23(24)25(27(32)36)28-29-26(35)19-14-21(33(37)38)16-22(15-19)34(39)40/h2-8,13-16H,9-12,17H2,1H3,(H,29,35)/b28-25+

InChIKey

IYMSAGNTVZCERP-AZPGRJICSA-N

Smiles

Cc1cccc(c1)N2CCN(CC2)CN3c4ccccc4/C(=N\NC(=O)c5cc(cc(c5)[N+](=O)[O-])[N+](=O)[O-])/C3=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Drugs. Vol. 22, Pg. 302, 1985.