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Substance Name: 1,4-Benzenediamine, N,N-diethyl-N'-(2-nitrobenzo(b)thien-3-yl)-
RN: 128554-92-7
InChIKey: KWNLYGVTFCMQRP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N3-O2-S

Molecular Weight

  • 341.4331
 
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Names and Synonyms

Synonyms

  • BRN 3562773
  • N,N-Diethyl-N'-(2-nitrobenzo(b)thien-3-yl)-1,4-benzenediamine

Systematic Name

  • 1,4-Benzenediamine, N,N-diethyl-N'-(2-nitrobenzo(b)thien-3-yl)-

Registry Numbers

CAS Registry Number

  • 128554-92-7

System Generated Number

  • 0128554927

Structure Descriptors

InChI

1S/C18H19N3O2S/c1-3-20(4-2)14-11-9-13(10-12-14)19-17-15-7-5-6-8-16(15)24-18(17)21(22)23/h5-12,19H,3-4H2,1-2H3

InChIKey

KWNLYGVTFCMQRP-UHFFFAOYSA-N

Smiles

CCN(CC)c1ccc(cc1)Nc2c3ccccc3sc2[N+](=O)[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.