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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)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-N-(4-(1,1-dimethylethyl)phenyl)-1-methyl-
RN: 132418-39-4
InChIKey: XLLRGEKETLLIRN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H29-Cl-N6-O-S

Molecular Weight

  • 545.1081
 
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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)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-N-(4-(1,1-dimethylethyl)phenyl)-1-methyl-

Registry Numbers

CAS Registry Number

  • 132418-39-4

System Generated Number

  • 0132418394

Structure Descriptors

InChI

1S/C29H29ClN6OS/c1-17-33-34-24-15-31-26(20-7-5-6-8-22(20)30)25-21-13-14-35(16-23(21)38-27(25)36(17)24)28(37)32-19-11-9-18(10-12-19)29(2,3)4/h5-12H,13-16H2,1-4H3,(H,32,37)

InChIKey

XLLRGEKETLLIRN-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(c4c(s3)CN(CC4)C(=O)Nc5ccc(cc5)C(C)(C)C)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,