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Substance Name: 1H-Isoindole-1,3(2H)-dione, 2-((1-((4-(4-methylphenyl)-1-piperazinyl)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-
RN: 115398-88-4
InChIKey: PTHOBLXWJGJARJ-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-(4-methylphenyl)-1-piperazinyl)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-

Registry Numbers

CAS Registry Number

  • 115398-88-4

System Generated Number

  • 0115398884

Structure Descriptors

InChI

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

InChIKey

PTHOBLXWJGJARJ-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)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.