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Substance Name: 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-
RN: 128554-82-5
InChIKey: MNMLYJKQYUNBKK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N3-O2-S

Molecular Weight

  • 279.3623
 
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Names and Synonyms

Synonyms

  • BRN 3557893
  • N,N-Dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-1,3-propanediamine

Systematic Name

  • 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-

Registry Numbers

CAS Registry Number

  • 128554-82-5

System Generated Number

  • 0128554825

Structure Descriptors

InChI

1S/C13H17N3O2S/c1-15(2)9-5-8-14-12-10-6-3-4-7-11(10)19-13(12)16(17)18/h3-4,6-7,14H,5,8-9H2,1-2H3

InChIKey

MNMLYJKQYUNBKK-UHFFFAOYSA-N

Smiles

CN(C)CCCNc1c2ccccc2sc1[N+](=O)[O-]

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.