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Substance Name: 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(phenylsulfonyl)-
RN: 132418-59-8
InChIKey: UJNTUNHVNICUER-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H21-Cl-N6-O2-S3

Molecular Weight

  • 569.1319
 
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Names and Synonyms

  • 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(phenylsulfonyl)-

Registry Numbers

CAS Registry Number

  • 132418-59-8

System Generated Number

  • 0132418598

Structure Descriptors

InChI

1S/C25H21ClN6O2S3/c1-15-28-29-21-13-27-23(17-9-5-6-10-19(17)26)22-18-11-12-31(14-20(18)36-24(22)32(15)21)25(35)30-37(33,34)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,30,35)

InChIKey

UJNTUNHVNICUER-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(c4c(s3)CN(CC4)C(=S)NS(=O)(=O)c5ccccc5)C(=NC2)c6ccccc6Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5492906,
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5492906,