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Substance Name: 1H-Isoindole-1,3(2H)-dione, 5-nitro-2-((1-(1-piperidinylmethyl)-1H-benzimidazol-2-yl)methyl)-
RN: 115398-82-8
InChIKey: KXMUJJJHSNTTDC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N5-O4

Molecular Weight

  • 419.4389
 
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Names and Synonyms

Synonym

  • 5-Nitro-2-((1-(1-piperidinylmethyl)-1H-benzimidazol-2-yl)methyl)-1H-isoindole-1,3(2H)-dione

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 115398-82-8

System Generated Number

  • 0115398828

Structure Descriptors

InChI

1S/C22H21N5O4/c28-21-16-9-8-15(27(30)31)12-17(16)22(29)25(21)13-20-23-18-6-2-3-7-19(18)26(20)14-24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13-14H2

InChIKey

KXMUJJJHSNTTDC-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)nc(n2CN3CCCCC3)CN4C(=O)c5ccc(cc5C4=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.