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Substance Name: 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,3-benzodioxol-5-yl)-6-(4-nitrophenyl)-
RN: 125766-51-0
InChIKey: PPCKUTCHDDGDPB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H9-N5-O6-S

Molecular Weight

  • 411.3531
 
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Names and Synonyms

Synonyms

  • BRN 6019627
  • RTECS XM5474000

Systematic Name

  • 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,3-benzodioxol-5-yl)-6-(4-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 125766-51-0

System Generated Number

  • 0125766510

Structure Descriptors

InChI

1S/C17H9N5O6S/c23-15-18-16-21(17(24)20(15)10-2-4-11(5-3-10)22(25)26)19-14(29-16)9-1-6-12-13(7-9)28-8-27-12/h1-7H,8H2

InChIKey

PPCKUTCHDDGDPB-UHFFFAOYSA-N

Smiles

c1cc(ccc1n2c(=O)nc3n(c2=O)nc(s3)c4ccc5c(c4)OCO5)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 277, 1989.
mouse LD oral > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 277, 1989.