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Substance Name: 1H-Isoindole-1,3(2H)-dione, 2-((1-((4-(3-methylphenyl)-1-piperazinyl)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-
RN: 115398-87-3
InChIKey: QFTRQFPQYPYMNT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H26-N6-O4

Molecular Weight

  • 510.5514
 
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Names and Synonyms

  • 1H-Isoindole-1,3(2H)-dione, 2-((1-((4-(3-methylphenyl)-1-piperazinyl)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-

Registry Numbers

CAS Registry Number

  • 115398-87-3

System Generated Number

  • 0115398873

Structure Descriptors

InChI

1S/C28H26N6O4/c1-19-5-4-6-20(15-19)31-13-11-30(12-14-31)18-33-25-8-3-2-7-24(25)29-26(33)17-32-27(35)22-10-9-21(34(37)38)16-23(22)28(32)36/h2-10,15-16H,11-14,17-18H2,1H3

InChIKey

QFTRQFPQYPYMNT-UHFFFAOYSA-N

Smiles

Cc1cccc(c1)N2CCN(CC2)Cn3c4ccccc4nc3CN5C(=O)c6ccc(cc6C5=O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Drugs. Vol. 25, Pg. 229, 1988.