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Substance Name: 1H-Isoindole-1,3(2H)-dione, 2-((1-((bis(2-hydroxyethyl)amino)methyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-
RN: 115398-91-9
InChIKey: XTIXRVMOEKSRSK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N5-O6

Molecular Weight

  • 439.4259
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 115398-91-9

System Generated Number

  • 0115398919

Structure Descriptors

InChI

1S/C21H21N5O6/c27-9-7-23(8-10-28)13-25-18-4-2-1-3-17(18)22-19(25)12-24-20(29)15-6-5-14(26(31)32)11-16(15)21(24)30/h1-6,11,27-28H,7-10,12-13H2

InChIKey

XTIXRVMOEKSRSK-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)nc(n2CN(CCO)CCO)CN3C(=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.