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Substance Name: 2-Pyrrolidinone, 1-(3-((2-nitrobenzo(b)thien-3-yl)amino)propyl)-
RN: 128554-86-9
InChIKey: PYCSBKQLVUIIIG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-N3-O3-S

Molecular Weight

  • 319.3833
 
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Names and Synonyms

Synonyms

  • 1-(3-((2-Nitrobenzo(b)thien-3-yl)amino)propyl)-2-pyrrolidinone
  • BRN 3566137

Systematic Name

  • 2-Pyrrolidinone, 1-(3-((2-nitrobenzo(b)thien-3-yl)amino)propyl)-

Registry Numbers

CAS Registry Number

  • 128554-86-9

System Generated Number

  • 0128554869

Structure Descriptors

InChI

1S/C15H17N3O3S/c19-13-7-3-9-17(13)10-4-8-16-14-11-5-1-2-6-12(11)22-15(14)18(20)21/h1-2,5-6,16H,3-4,7-10H2

InChIKey

PYCSBKQLVUIIIG-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(c(s2)[N+](=O)[O-])NCCCN3CCCC3=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Farmaco. Vol. 45, Pg. 29, 1990.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco. Vol. 45, Pg. 29, 1990.