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Substance Name: 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-
RN: 149338-16-9
InChIKey: KYRZWFRELUDRFE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-Cl-N3-O2-S

Molecular Weight

  • 313.8074
 
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Names and Synonyms

Synonyms

  • BRN 5823604
  • N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-1,3-propanediamine

Systematic Name

  • 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-

Registry Numbers

CAS Registry Number

  • 149338-16-9

System Generated Number

  • 0149338169

Structure Descriptors

InChI

1S/C13H16ClN3O2S/c1-16(2)7-3-6-15-12-10-8-9(14)4-5-11(10)20-13(12)17(18)19/h4-5,8,15H,3,6-7H2,1-2H3

InChIKey

KYRZWFRELUDRFE-UHFFFAOYSA-N

Smiles

CN(C)CCCNc1c2cc(ccc2sc1[N+](=O)[O-])Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Farmaco. Vol. 47, Pg. 1149, 1992.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco. Vol. 47, Pg. 1149, 1992.