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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-(1H-pyrrol-2-ylsulfonyl)-
RN: 132418-62-3
InChIKey: ZHYQLYYBVSIJCC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H20-Cl-N7-O2-S3

Molecular Weight

  • 558.109
 
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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-(1H-pyrrol-2-ylsulfonyl)-

Registry Numbers

CAS Registry Number

  • 132418-62-3

System Generated Number

  • 0132418623

Structure Descriptors

InChI

1S/C23H20ClN7O2S3/c1-13-27-28-18-11-26-21(14-5-2-3-6-16(14)24)20-15-8-10-30(12-17(15)35-22(20)31(13)18)23(34)29-36(32,33)19-7-4-9-25-19/h2-7,9,25H,8,10-12H2,1H3,(H,29,34)

InChIKey

ZHYQLYYBVSIJCC-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(c4c(s3)CN(CC4)C(=S)NS(=O)(=O)c5ccc[nH]5)C(=NC2)c6ccccc6Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5492906,
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   United States Patent Document. Vol. #5492906,