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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-(3,4,5-trimethoxyphenyl)-
RN: 132418-38-3
InChIKey: XCKJBPARMBYPSQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H27-Cl-N6-O3-S2

Molecular Weight

  • 595.1453
 
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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-(3,4,5-trimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 132418-38-3

System Generated Number

  • 0132418383

Structure Descriptors

InChI

1S/C28H27ClN6O3S2/c1-15-32-33-23-13-30-25(17-7-5-6-8-19(17)29)24-18-9-10-34(14-22(18)40-27(24)35(15)23)28(39)31-16-11-20(36-2)26(38-4)21(12-16)37-3/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,31,39)

InChIKey

XCKJBPARMBYPSQ-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(c4c(s3)CN(CC4)C(=S)Nc5cc(c(c(c5)OC)OC)OC)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,