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Substance Name: Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)-
RN: 128554-85-8
InChIKey: SJMSKMVNGCCFQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N3-O2-S

Molecular Weight

  • 291.3733
 
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Names and Synonyms

Synonyms

  • 2-Nitro-N-(2-(1-pyrrolidinyl)ethyl)benzo(b)thiophen-3-amine
  • BRN 3559199

Systematic Name

  • Benzo(b)thiophen-3-amine, 2-nitro-N-(2-(1-pyrrolidinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 128554-85-8

System Generated Number

  • 0128554858

Structure Descriptors

InChI

1S/C14H17N3O2S/c18-17(19)14-13(11-5-1-2-6-12(11)20-14)15-7-10-16-8-3-4-9-16/h1-2,5-6,15H,3-4,7-10H2

InChIKey

SJMSKMVNGCCFQW-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(c(s2)[N+](=O)[O-])NCCN3CCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Farmaco. Vol. 45, Pg. 29, 1990.
mouse LD50 oral 400mg/kg (400mg/kg)   Farmaco. Vol. 45, Pg. 29, 1990.