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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-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl-
RN: 132418-51-0
InChIKey: MTSLJHGZRSKCIR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H37-Cl-N6-S2

Molecular Weight

  • 617.2823
 
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Names and Synonyms

Synonym

  • RTECS VD6902368

Systematic 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-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl-

Registry Numbers

CAS Registry Number

  • 132418-51-0

System Generated Number

  • 0132418510

Structure Descriptors

InChI

1S/C33H37ClN6S2/c1-19-37-38-27-17-35-29(21-10-8-9-11-24(21)34)28-22-14-15-39(18-26(22)42-30(28)40(19)27)31(41)36-25-13-12-20(32(2,3)4)16-23(25)33(5,6)7/h8-13,16H,14-15,17-18H2,1-7H3,(H,36,41)

InChIKey

MTSLJHGZRSKCIR-UHFFFAOYSA-N

Smiles

Cc1nnc2n1-c3c(c4c(s3)CN(CC4)C(=S)Nc5ccc(cc5C(C)(C)C)C(C)(C)C)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,