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Substance Name: 1H-Isoindole-1,3(2H)-dione, 2-((1-((diethylamino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-
RN: 115398-90-8
InChIKey: PCXDCRSZNVOVOB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N5-O4

Molecular Weight

  • 407.4279
 
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Names and Synonyms

Synonym

  • 2-((1-((Diethylamino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-isoindole-1,3(2H)-dione

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 115398-90-8

System Generated Number

  • 0115398908

Structure Descriptors

InChI

1S/C21H21N5O4/c1-3-23(4-2)13-25-18-8-6-5-7-17(18)22-19(25)12-24-20(27)15-10-9-14(26(29)30)11-16(15)21(24)28/h5-11H,3-4,12-13H2,1-2H3

InChIKey

PCXDCRSZNVOVOB-UHFFFAOYSA-N

Smiles

CCN(CC)Cn1c2ccccc2nc1CN3C(=O)c4ccc(cc4C3=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.